SCHEMBL2388786

SCHEMBL2388786

O=C(c1ccc(-c2ccc3ncccc3c2)cc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.65
HPGD P15428 2/20 0.53
SPR P35270 1/20 0.51
HTR2B P41595 1/20 0.48
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
PDE2A O00408 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
FASN P49327 2/20 0.46
HSD11B1 P28845 1/20 0.46
LMNA P02545 1/20 0.45
GSK3B P49841 1/20 0.45
RIPK1 Q13546 1/20 0.44

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
SCHEMBL2393145 0.92 NAMPT (0.63) NAMPTHPGDSPRHTR2BDPP4
SCHEMBL2388706 0.91 NAMPT (0.61) NAMPTHPGDSPRHTR2BMKNK1
SCHEMBL2388351 0.89 NAMPT (0.64) NAMPTHPGDSPRDPP4DPP8
SCHEMBL15732482 0.89 NAMPT (0.56) NAMPTHPGDSPRDPP4DPP8
SCHEMBL2388017 0.87 NAMPT (0.57) NAMPTHPGDSPRDPP4DPP8
SCHEMBL2388894 0.85 NAMPT (0.55) NAMPTHPGDSPRHTR2BDPP4
SCHEMBL2390864 0.84 NAMPT (0.64) NAMPTHPGDSPRHTR2BMKNK1
SCHEMBL2388608 0.84 NAMPT (0.64) NAMPTHPGDSPRHTR2BMKNK1
SCHEMBL2390915 0.84 NAMPT (0.64) NAMPTSPRHTR2BMKNK1MKNK2
SCHEMBL2388280 0.84 NAMPT (0.57) NAMPTHPGDSPRHTR2BMKNK2

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 2170/4885HPGD 1194/4885SPR 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.