SCHEMBL2276187

SCHEMBL2276187

CC(C)n1c(-c2ccc(OC(F)(F)F)cc2)nc2cc(C(=O)N3CCC(c4cccnc4)C3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.54
PADI4 Q9UM07 1/20 0.44
HTR2B P41595 1/20 0.43
EPHX2 P34913 1/20 0.42
MAPK7 Q13164 6/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.41
SPR P35270 1/20 0.41
IDH1 O75874 2/20 0.40
GHSR Q92847 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
SCHEMBL2282314 0.93 MAPK7 (0.44) NAMPTHTR2BMAPK7KMT2AIDH1
SCHEMBL2279784 0.89 NAMPT (0.68) NAMPTPADI4SPR
SCHEMBL2277943 0.89 NAMPT (0.49) NAMPTPADI4HTR2BEPHX2MAPK7
SCHEMBL2286326 0.89 NAMPT (0.55) NAMPTPADI4HTR2BEPHX2MAPK7
SCHEMBL2282003 0.88 NAMPT (0.56) NAMPTPADI4SPR
SCHEMBL2280346 0.88 NAMPT (0.55) NAMPTPADI4HTR2BEPHX2MAPK7
SCHEMBL2285733 0.87 NAMPT (0.53) NAMPTPADI4HTR2BEPHX2MAPK7
SCHEMBL2279339 0.87 NAMPT (0.55) NAMPTPADI4HTR2BEPHX2MAPK7
SCHEMBL2284970 0.87 NAMPT (0.55) NAMPTPADI4HTR2BEPHX2MAPK7
SCHEMBL2281405 0.87 NAMPT (0.55) NAMPTPADI4HTR2BEPHX2MAPK7

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 6 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

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 1938/4885PADI4 301/4885HTR2B 1332/4885

“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.