SCHEMBL2114635

SCHEMBL2114635

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.52
PTGS2 P35354 3/20 0.46
SCN5A Q14524 2/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
TACR2 P21452 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.37
CNR2 P34972 2/20 0.37
CHEK1 O14757 1/20 0.36
IKBKB O14920 1/20 0.36
DCLK1 O15075 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
CHEK2 O96017 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL2115870 0.91 CNR1 (0.56) CNR1PTGS2SCN5AKCNH2SCN2A
SCHEMBL2112636 0.88 CNR1 (0.47) CNR1PTGS2SCN5AKCNH2SCN2A
SCHEMBL2112641 0.88 CNR1 (0.47) CNR1PTGS2SCN5AKCNH2SCN2A
SCHEMBL2112640 0.88 CNR1 (0.47) CNR1PTGS2SCN5AKCNH2SCN2A
SCHEMBL2113286 0.85 CNR1 (0.50) CNR1PTGS2SCN5AKCNH2SCN2A
SCHEMBL2114135 0.83 CNR1 (0.49) CNR1PTGS2SCN5AKCNH2SCN2A
SCHEMBL3497811 0.83 CNR1 (0.49) CNR1PTGS2SCN5AKCNH2SCN2A
SCHEMBL3492075 0.83 CNR1 (0.49) CNR1PTGS2SCN5AKCNH2SCN2A
SCHEMBL2114838 0.83 CNR1 (0.55) CNR1SCN5AKCNH2SCN2ASCN10A
SCHEMBL2114245 0.83 CNR1 (0.50) CNR1PTGS2SCN5AKCNH2SCN2A

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-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 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-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
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 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-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES APOB, CETP, NPC1L1 CNR1 68/4885PTGS2 1408/4885SCN5A 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.