SCHEMBL2390964

SCHEMBL2390964

O=C(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccc(OC(F)(F)F)cc2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.53
KDM1A O60341 2/20 0.44
ROCK2 O75116 1/20 0.44
EPHX2 P34913 1/20 0.44
ABL1 P00519 7/20 0.44
SPR P35270 1/20 0.43
SCN9A Q15858 1/20 0.43
HTR2B P41595 1/20 0.42
PROKR1 Q8TCW9 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 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 0.91 NAMPT (0.51) NAMPTKDM1AROCK2SPRSCN9A
SCHEMBL2387834 0.90 NAMPT (0.65) NAMPTKDM1AROCK2SPRPROKR1
SCHEMBL2388766 0.90 NAMPT (0.55) NAMPTKDM1AROCK2SPRSCN9A
SCHEMBL2389804 0.90 NAMPT (0.55) NAMPTKDM1AROCK2SPRSCN9A
SCHEMBL2390814 0.90 NAMPT (0.56) NAMPTKDM1AROCK2SPRSCN9A
SCHEMBL2390868 0.89 NAMPT (0.54) NAMPTROCK2EPHX2SPRSCN9A
SCHEMBL2390745 0.88 NAMPT (0.54) NAMPTKDM1AROCK2SPRSCN9A
SCHEMBL2387611 0.87 NAMPT (0.54) NAMPTKDM1AROCK2SPRSCN9A
SCHEMBL2390063 0.87 NAMPT (0.55) NAMPTKDM1AROCK2SPRSCN9A
SCHEMBL2388919 0.86 ROCK2 (0.61) NAMPTKDM1AROCK2SPRSCN9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2170/4885KDM1A 2272/4885ROCK2 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.