SCHEMBL2388280

SCHEMBL2388280

O=C(c1cccc(-c2cnc3ccccc3c2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.57
MAP4K4 O95819 1/20 0.49
CSNK1G2 P78368 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
PIK3CA P42336 3/20 0.49
PIK3CD O00329 2/20 0.49
MTOR P42345 1/20 0.49
KCNH2 Q12809 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
SPR P35270 1/20 0.48
HPGDS O60760 1/20 0.47
HPGD P15428 3/20 0.46
CYP2A6 P11509 1/20 0.46
FASN P49327 1/20 0.46
HTR2B P41595 1/20 0.44
HSD11B1 P28845 1/20 0.43
SCD O00767 1/20 0.43

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) NAMPTPIK3CAPIK3CDMTORKCNH2
SCHEMBL2388706 0.91 NAMPT (0.61) NAMPTMKNK2PIK3CASPRHPGD
SCHEMBL2391606 0.87 NAMPT (0.61) NAMPTSPRHPGDSHSD11B1SCD
SCHEMBL2389900 0.86 NAMPT (0.62) NAMPTSPRHPGDHTR2BHSD11B1
SCHEMBL2391652 0.85 NAMPT (0.53) NAMPTSPRHPGDCYP2A6FASN
SCHEMBL2392406 0.84 NAMPT (0.66) NAMPTSPRHSD11B1SCD5
SCHEMBL2390671 0.84 NAMPT (0.60) NAMPTSPRHSD11B1SCDSCD5
SCHEMBL2388786 0.84 NAMPT (0.65) NAMPTMKNK2SPRHPGDFASN
SCHEMBL2391668 0.82 NAMPT (0.56) NAMPTSPRHPGDSHPGDHSD11B1
SCHEMBL15732634 0.82 NAMPT (0.65) NAMPTSPRHSD11B1SCDSCD5

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 2170/4885MAP4K4 2285/4885CSNK1G2 1809/4885

“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.