SCHEMBL2390915

SCHEMBL2390915

O=C(c1ccc(-c2ccncc2)cc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.64
SPR P35270 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
HSD11B1 P28845 3/20 0.53
HTR2B P41595 1/20 0.51
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
RECQL P46063 1/20 0.48
ALDH1A1 P00352 2/20 0.48
FASN P49327 2/20 0.47
HTT P42858 1/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46

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
SCHEMBL2390864 0.93 NAMPT (0.64) NAMPTSPRNPC1RAB9AATM
SCHEMBL2388608 0.93 NAMPT (0.64) NAMPTSPRNPC1RAB9AATM
SCHEMBL2393166 0.91 NAMPT (0.62) NAMPTSPRNPC1RAB9AATM
SCHEMBL2385513 0.91 NAMPT (0.76) NAMPTSPRNPC1RAB9AATM
SCHEMBL2389787 0.90 NAMPT (0.61) NAMPTSPRNPC1RAB9AATM
SCHEMBL16712998 0.89 RAB9A (0.68) NAMPTNPC1RAB9AATMHSD11B1
SCHEMBL2390671 0.89 NAMPT (0.60) NAMPTSPRNPC1RAB9AATM
SCHEMBL2390829 0.88 NAMPT (0.61) NAMPTSPRNPC1RAB9AATM
SCHEMBL2388486 0.88 NAMPT (0.59) NAMPTSPRNPC1RAB9AATM
SCHEMBL2388516 0.88 SPR (0.65) NAMPTSPRNPC1RAB9AATM

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 2170/4885SPR 2765/4885NPC1 561/4885

“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.