SCHEMBL2279784

SCHEMBL2279784

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

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.68
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PADI4 Q9UM07 1/20 0.46
SPR P35270 1/20 0.44
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
PROKR1 Q8TCW9 2/20 0.41
RORC P51449 2/20 0.41

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
SCHEMBL2282003 0.93 NAMPT (0.56) NAMPTNPC1RAB9AATMCYP11B1
SCHEMBL2276187 0.89 NAMPT (0.54) NAMPTPADI4SPR
SCHEMBL2285618 0.88 NAMPT (0.54) NAMPTNPC1RAB9AATMCYP11B1
SCHEMBL2283196 0.85 NAMPT (0.56) NAMPTNPC1RAB9AATMPADI4
SCHEMBL2286220 0.82 NAMPT (0.63) NAMPTNPC1RAB9AATMCYP11B2
SCHEMBL2283297 0.82 NAMPT (0.63) NAMPTNPC1RAB9AATMPADI4
SCHEMBL2282314 0.82 MAPK7 (0.44) NAMPT
SCHEMBL2283486 0.81 NAMPT (0.64) NAMPTNPC1RAB9AATMCYP11B1
SCHEMBL2385513 0.81 NAMPT (0.76) NAMPTNPC1RAB9AATMSPR
SCHEMBL2278048 0.81 NAMPT (0.53) NAMPTNPC1RAB9AATMPADI4

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 1938/4885NPC1 799/4885RAB9A 3203/4885

“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.