The NIH Molecular Libraries Probe Production Centers Network (MLPCN) aims to remediate key deficiencies in drug discovery and chemical biology, through pursuit of therapeutically feasible but unprofitable drug targets, undruggable genes of biochemical interest, and development of chemically diverse, biologically relevant screening sets.  This paper evaluates the novelty of MLPCN targets, their propensity for undergoing modulations of biochemical or therapeutic relevance, the degree of chemical diversity inherent in the MLPCN screening set, and biogenic bias of the set.  Our analyses suggest that MLPCN targets cover biologically interesting pathway space that is distinct from established drug targets, but may include genes whose overly complex protein interactions may obfuscate pathway effects and enable therapeutically undesirable side-effect risks.  We find the MLPCN screening set to be chemically diverse, and it has greater biogenic bias than comparable collections of commercially available compounds.  Biogenic enhancements such as incorporation of more metabolite-like chemotypes are suggested.

Characterizing the diversity and biological relevance of the MLPCN assay manifold and screening set

245th National Meeting (2013)

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