SCHEMBL2390747

SCHEMBL2390747

COc1cc(C(=O)N2CCC(c3cccnc3)C2)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.62
NAMPT P43490 2/20 0.54
LMNA P02545 2/20 0.51
PROKR1 Q8TCW9 2/20 0.47
SPR P35270 1/20 0.46
HTT P42858 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
APLNR P35414 1/20 0.44
KMT2A Q03164 1/20 0.44
CASP3 P42574 1/20 0.43
CDK9 P50750 1/20 0.43
CASP7 P55210 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
MAPK7 Q13164 1/20 0.43
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 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
SCHEMBL2390868 0.91 NAMPT (0.54) ROCK2NAMPTLMNAPROKR1SPR
SCHEMBL2388732 0.91 NAMPT (0.52) ROCK2NAMPTLMNAPROKR1SPR
SCHEMBL2389753 0.91 NAMPT (0.52) ROCK2NAMPTLMNAPROKR1SPR
SCHEMBL2389919 0.90 NAMPT (0.56) ROCK2NAMPTPROKR1SPRNPC1
SCHEMBL2389191 0.89 NAMPT (0.51) ROCK2NAMPTLMNAPROKR1SPR
SCHEMBL2389850 0.89 NAMPT (0.52) ROCK2NAMPTLMNAPROKR1SPR
SCHEMBL2389357 0.89 NAMPT (0.59) ROCK2NAMPTPROKR1SPRNPC1
SCHEMBL2390754 0.89 NAMPT (0.56) ROCK2NAMPTPROKR1SPRNPC1
SCHEMBL2389098 0.89 NAMPT (0.56) ROCK2NAMPTPROKR1SPRNPC1
SCHEMBL2390814 0.89 NAMPT (0.56) ROCK2NAMPTPROKR1SPRNPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ROCK2 1766/4885NAMPT 2170/4885LMNA 1295/4885

“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.