SCHEMBL2390978

SCHEMBL2390978

COc1ccc(-c2cc(C(=O)N3CCC(c4cccnc4)C3)ccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.51
ROCK2 O75116 2/20 0.48
SCN9A Q15858 5/20 0.46
PROKR1 Q8TCW9 3/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
HPGD P15428 1/20 0.42
SPR P35270 1/20 0.42
KDM1A O60341 2/20 0.41
KDR P35968 1/20 0.40
LMNA P02545 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
SCHEMBL2388910 0.92 SCN9A (0.57) NAMPTROCK2SCN9APROKR1SPR
SCHEMBL2387844 0.90 NAMPT (0.49) NAMPTROCK2SCN9APROKR1SPR
SCHEMBL2389191 0.89 NAMPT (0.51) NAMPTROCK2SCN9APROKR1HPGD
SCHEMBL2387611 0.89 NAMPT (0.54) NAMPTROCK2SCN9APROKR1SPR
SCHEMBL2390814 0.89 NAMPT (0.56) NAMPTROCK2SCN9APROKR1SPR
SCHEMBL2385498 0.88 NAMPT (0.53) NAMPTROCK2SCN9APROKR1HPGD
SCHEMBL2390747 0.88 ROCK2 (0.62) NAMPTROCK2SCN9APROKR1HPGD
SCHEMBL2388581 0.88 NAMPT (0.49) NAMPTROCK2SCN9APROKR1HPGD
SCHEMBL2387264 0.88 SCN9A (0.49) NAMPTROCK2SCN9APROKR1GPBAR1
SCHEMBL2387880 0.87 NAMPT (0.52) NAMPTROCK2SCN9APROKR1SPR

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 6 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
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 2170/4885ROCK2 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.