SCHEMBL2390723

SCHEMBL2390723

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.55
ROCK2 O75116 2/20 0.47
SPR P35270 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
PROKR1 Q8TCW9 4/20 0.45
MYC P01106 1/20 0.44
CYP2C9 P11712 1/20 0.44
SLC9A1 P19634 1/20 0.44
SCD5 Q86SK9 1/20 0.43
SCN9A Q15858 1/20 0.43
RORC P51449 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
HSD11B1 P28845 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL2390273 0.90 NAMPT (0.52) NAMPTROCK2SPRNPC1RAB9A
SCHEMBL2389850 0.90 NAMPT (0.52) NAMPTROCK2SPRNPC1RAB9A
SCHEMBL2389804 0.90 NAMPT (0.55) NAMPTROCK2SPRNPC1RAB9A
SCHEMBL2389357 0.89 NAMPT (0.59) NAMPTROCK2SPRNPC1RAB9A
SCHEMBL2389098 0.89 NAMPT (0.56) NAMPTROCK2SPRNPC1RAB9A
SCHEMBL2390814 0.89 NAMPT (0.56) NAMPTROCK2SPRNPC1RAB9A
SCHEMBL2390754 0.89 NAMPT (0.56) NAMPTROCK2SPRNPC1RAB9A
SCHEMBL2389654 0.89 NAMPT (0.51) NAMPTROCK2SPRNPC1RAB9A
SCHEMBL2386911 0.89 NAMPT (0.51) NAMPTROCK2SPRNPC1RAB9A
SCHEMBL2387224 0.89 NAMPT (0.56) NAMPTROCK2SPRNPC1RAB9A

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 12 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
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-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
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 1766/4885SPR 2765/4885

“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.