SCHEMBL2114119

SCHEMBL2114119

Cc1cccnc1C(=O)Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
KCNH2 Q12809 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
KIT P10721 1/20 0.45
TRPV1 Q8NER1 5/20 0.43
PTGS2 P35354 1/20 0.40
CTSA P10619 1/20 0.40
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
GRM1 Q13255 1/20 0.39
CYP11B2 P19099 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL2114624 0.87 CNR1 (0.48) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL17866269 0.86 KCNH2 (0.46) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2112441 0.85 CNR1 (0.52) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2112015 0.84 CNR1 (0.49) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2114487 0.84 KCNH2 (0.53) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2113379 0.83 KDM4E (0.55) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2113414 0.83 CNR1 (0.54) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2114614 0.83 CNR1 (0.49) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2114838 0.82 CNR1 (0.55) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2115180 0.82 CNR1 (0.51) CNR1KCNH2SCN5ASCN2ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 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-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES APOB, CETP, NPC1L1 CNR1 68/4885KCNH2 839/4885SCN5A 816/4885

“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.