SCHEMBL2389382

SCHEMBL2389382

COc1c(C)cc(-c2ccc(C(=O)N3CCC(c4cccnc4)C3)cc2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.57
SPR P35270 1/20 0.50
ROCK2 O75116 2/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
HTT P42858 2/20 0.47
PDE4B Q07343 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
HSD11B1 P28845 2/20 0.45
KLK7 P49862 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
APLNR P35414 1/20 0.44
HTR2B P41595 1/20 0.44
PROKR1 Q8TCW9 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
SCHEMBL2392435 0.90 NAMPT (0.54) NAMPTSPRROCK2ABL1BCR
SCHEMBL2390829 0.87 NAMPT (0.61) NAMPTSPRROCK2ABL1BCR
SCHEMBL2392931 0.84 NAMPT (0.56) NAMPTSPRROCK2ABL1BCR
SCHEMBL2390915 0.83 NAMPT (0.64) NAMPTSPRABL1BCRALDH1A1
SCHEMBL2388608 0.83 NAMPT (0.64) NAMPTSPRALDH1A1LMNAHPGD
SCHEMBL2390864 0.83 NAMPT (0.64) NAMPTSPRABL1BCRALDH1A1
SCHEMBL8356221 0.83 HTT (0.62) NAMPTSPRROCK2ALDH1A1LMNA
SCHEMBL2388516 0.83 SPR (0.65) NAMPTSPRABL1BCRALDH1A1
SCHEMBL2391631 0.82 NAMPT (0.58) NAMPTSPRROCK2ALDH1A1LMNA
SCHEMBL2389841 0.82 NAMPT (0.54) NAMPTSPRROCK2ABL1BCR

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
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP claimed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US claimed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO 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
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 NAMPT 2170/4885SPR 2765/4885ROCK2 1766/4885

“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.