SCHEMBL2115870

SCHEMBL2115870

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.56
PTGS2 P35354 2/20 0.47
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
RORC P51449 2/20 0.42
TACR2 P21452 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPT P10636 2/20 0.40
PSD A5PKW4 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2114635 0.91 CNR1 (0.52) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL2113286 0.87 CNR1 (0.50) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL2112640 0.86 CNR1 (0.47) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL2112636 0.86 CNR1 (0.47) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL2112641 0.86 CNR1 (0.47) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL3497811 0.85 CNR1 (0.49) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL2114135 0.85 CNR1 (0.49) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL3492075 0.85 CNR1 (0.49) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL2114838 0.85 CNR1 (0.55) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2114245 0.84 CNR1 (0.50) CNR1PTGS2KCNH2SCN5ASCN2A

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 11 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 claimed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 EP claimed
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 WO claimed
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 1408/4885KCNH2 839/4885

“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.