SCHEMBL2389628

SCHEMBL2389628

Nc1cnc(-c2cc(C(=O)N3CCC(c4cccnc4)C3)ccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.50
ALOX5AP P20292 8/20 0.45
FEN1 P39748 8/20 0.45
PROKR1 Q8TCW9 2/20 0.43
SPR P35270 1/20 0.42
ROCK2 O75116 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC9A1 P19634 1/20 0.41
KDM1A O60341 1/20 0.40
KCNH2 Q12809 1/20 0.40
RORC P51449 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL2385498 0.91 NAMPT (0.53) NAMPTPROKR1SPRROCK2CYP2C9
SCHEMBL2387880 0.88 NAMPT (0.52) NAMPTALOX5APFEN1PROKR1SPR
SCHEMBL2387800 0.88 NAMPT (0.52) NAMPTPROKR1SPRROCK2CYP2C9
SCHEMBL2390063 0.88 NAMPT (0.55) NAMPTPROKR1SPRROCK2CYP2C9
SCHEMBL2390814 0.88 NAMPT (0.56) NAMPTPROKR1SPRROCK2CYP2C9
SCHEMBL2389804 0.86 NAMPT (0.55) NAMPTPROKR1SPRROCK2KDM1A
SCHEMBL2388766 0.86 NAMPT (0.55) NAMPTPROKR1SPRROCK2CYP2C9
SCHEMBL2390745 0.85 NAMPT (0.54) NAMPTPROKR1SPRROCK2CYP2C9
SCHEMBL2388526 0.85 NAMPT (0.51) NAMPTPROKR1SPRROCK2CYP2C9
SCHEMBL2387611 0.85 NAMPT (0.54) NAMPTPROKR1SPRROCK2CYP2C9

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 10 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
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 2170/4885ALOX5AP 163/4885FEN1 4435/4885

“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.