SCHEMBL2390194

SCHEMBL2390194

Cc1cc(C)cc(-c2ccc(C(=O)N3CCC(c4cccnc4)C3)cc2-c2cncnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.54
SPR P35270 1/20 0.48
ROCK2 O75116 2/20 0.47
AR P10275 1/20 0.43
PROKR1 Q8TCW9 7/20 0.43
HSD11B1 P28845 1/20 0.43
KDM1A O60341 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40
FASN P49327 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
SCHEMBL2390301 0.95 NAMPT (0.57) NAMPTSPRROCK2PROKR1HSD11B1
SCHEMBL2390745 0.87 NAMPT (0.54) NAMPTSPRROCK2PROKR1HSD11B1
SCHEMBL2390829 0.85 NAMPT (0.61) NAMPTSPRROCK2PROKR1HSD11B1
SCHEMBL2390029 0.84 SPR (0.58) NAMPTSPRROCK2PROKR1HSD11B1
SCHEMBL2390814 0.82 NAMPT (0.56) NAMPTSPRROCK2PROKR1HSD11B1
SCHEMBL2486347 0.81 NAMPT (0.53) NAMPTSPRROCK2ARHSD11B1
SCHEMBL2388609 0.81 NAMPT (0.51) NAMPTSPRROCK2HSD11B1KDM1A
SCHEMBL18912049 0.81 KDM1A (0.66) NAMPTKDM1A
SCHEMBL30132433 0.81 KDM1A (0.66) NAMPTKDM1A
SCHEMBL12255790 0.81 NAMPT (0.51) NAMPTSPRROCK2PROKR1KDM1A

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.