SCHEMBL2389837

SCHEMBL2389837

COc1ncccc1-c1ccc(C(=O)N2CCC(c3cccnc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.54
ROCK2 O75116 2/20 0.49
SCN9A Q15858 3/20 0.48
SPR P35270 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
HSD11B1 P28845 2/20 0.45
APLNR P35414 1/20 0.44
PDCD1LG2 Q9BQ51 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL2391631 0.88 NAMPT (0.58) NAMPTROCK2SPRLMNAALDH1A1
SCHEMBL2392931 0.84 NAMPT (0.56) NAMPTROCK2SCN9ASPRLMNA
SCHEMBL2388422 0.83 NAMPT (0.58) NAMPTROCK2SPRNPC1RAB9A
SCHEMBL2390915 0.83 NAMPT (0.64) NAMPTSPRALDH1A1NPC1RAB9A
SCHEMBL2387264 0.83 SCN9A (0.49) NAMPTROCK2SCN9ASPRLMNA
SCHEMBL12255562 0.82 NAMPT (0.60) NAMPTROCK2SPRLMNAALDH1A1
SCHEMBL2388608 0.81 NAMPT (0.64) NAMPTSPRLMNAALDH1A1HPGD
SCHEMBL2390864 0.81 NAMPT (0.64) NAMPTSPRALDH1A1HPGDNPC1
SCHEMBL2388247 0.81 ROCK2 (0.70) NAMPTROCK2SPRLMNAALDH1A1
SCHEMBL2389382 0.81 NAMPT (0.57) NAMPTROCK2SPRLMNAALDH1A1

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-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP claimed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US claimed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US claimed
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 NAMPT 2170/4885ROCK2 1766/4885SCN9A 1077/4885

“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.