SCHEMBL2277871

SCHEMBL2277871

CC(C)(C)c1nc2cc(C(=O)N3CCC(c4cccnc4)C3)ccc2n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.42
MAPK7 Q13164 13/20 0.42
SPR P35270 1/20 0.41
HTR2B P41595 1/20 0.41
PADI4 Q9UM07 1/20 0.40
SCN9A Q15858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2279428 0.95 NAMPT (0.51) NAMPTHPGDEPHX2MAPK7SPR
SCHEMBL2281363 0.94 NAMPT (0.52) NAMPTHPGDEPHX2MAPK7SPR
SCHEMBL2277906 0.91 NAMPT (0.52) NAMPTHPGDEPHX2MAPK7SPR
SCHEMBL2282725 0.89 HPGD (0.56) NAMPTHPGDEPHX2MAPK7SPR
SCHEMBL2286262 0.89 NAMPT (0.50) NAMPTHPGDEPHX2MAPK7SPR
SCHEMBL2283714 0.89 NAMPT (0.51) NAMPTHPGDEPHX2MAPK7SPR
SCHEMBL2280197 0.89 HPGD (0.53) NAMPTHPGDEPHX2MAPK7SPR
SCHEMBL2283700 0.87 NAMPT (0.49) NAMPTHPGDEPHX2MAPK7SPR
SCHEMBL2285457 0.87 NAMPT (0.49) NAMPTHPGDEPHX2MAPK7SPR
SCHEMBL2286051 0.87 NAMPT (0.52) NAMPTHPGDEPHX2MAPK7SPR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP claimed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US claimed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US claimed
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
EP-2358202-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 NAMPT 1938/4885HPGD 1081/4885EPHX2 449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.