SCHEMBL2282003

SCHEMBL2282003

CC(C)n1c(-c2ccccc2)nc2cc(C(=O)N3CCC(c4cccnc4)C3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.56
PADI4 Q9UM07 5/20 0.49
SPR P35270 1/20 0.46
ROCK2 O75116 1/20 0.45
PROKR1 Q8TCW9 1/20 0.44
PTGER4 P35408 1/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
KDM5A P29375 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL2279784 0.93 NAMPT (0.68) NAMPTPADI4SPRPROKR1NPC1
SCHEMBL2285618 0.89 NAMPT (0.54) NAMPTPADI4SPRROCK2PROKR1
SCHEMBL2276187 0.88 NAMPT (0.54) NAMPTPADI4SPR
SCHEMBL2283196 0.87 NAMPT (0.56) NAMPTPADI4SPRROCK2PROKR1
SCHEMBL2278048 0.86 NAMPT (0.53) NAMPTPADI4SPRROCK2PROKR1
SCHEMBL2285646 0.86 NAMPT (0.58) NAMPTPADI4SPRROCK2HPGD
SCHEMBL2280231 0.85 NAMPT (0.57) NAMPTPADI4SPRROCK2HPGD
SCHEMBL2279289 0.85 NAMPT (0.57) NAMPTPADI4SPRROCK2HPGD
SCHEMBL2278276 0.83 NAMPT (0.57) NAMPTPADI4SPRNPC1RAB9A
SCHEMBL2285726 0.81 MGLL (0.61) NAMPTPADI4SPRROCK2HPGD

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-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP claimed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO 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 301/4885SPR 3835/4885

“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.