SCHEMBL2389823

SCHEMBL2389823

O=C(c1ccc(-c2ccc(OCC(F)(F)F)cc2)c(-c2cncnc2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.52
SCN9A Q15858 10/20 0.49
SPR P35270 1/20 0.42
KDM1A O60341 4/20 0.42
ROCK2 O75116 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
SCHEMBL2390098 0.92 NAMPT (0.51) NAMPTSCN9ASPRKDM1AROCK2
SCHEMBL2390745 0.85 NAMPT (0.54) NAMPTSCN9ASPRKDM1AROCK2
SCHEMBL2486347 0.85 NAMPT (0.53) NAMPTSPRKDM1AROCK2
SCHEMBL2388910 0.83 SCN9A (0.57) NAMPTSCN9ASPRKDM1AROCK2
SCHEMBL2388609 0.82 NAMPT (0.51) NAMPTSCN9ASPRKDM1AROCK2
SCHEMBL2390964 0.82 NAMPT (0.53) NAMPTSCN9ASPRKDM1AROCK2
SCHEMBL2390194 0.81 NAMPT (0.54) NAMPTSPRKDM1AROCK2
SCHEMBL2390814 0.81 NAMPT (0.56) NAMPTSCN9ASPRKDM1AROCK2
SCHEMBL2387834 0.80 NAMPT (0.65) NAMPTSPRKDM1AROCK2
SCHEMBL2389804 0.80 NAMPT (0.55) NAMPTSCN9ASPRKDM1AROCK2

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
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US 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 2170/4885SCN9A 1077/4885SPR 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.