SCHEMBL2114684

SCHEMBL2114684

Cc1cncc(C(=O)Nc2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.53
SCN10A Q9Y5Y9 5/20 0.49
SCN2A Q99250 2/20 0.49
KCNH2 Q12809 1/20 0.49
SCN5A Q14524 1/20 0.49
ABL1 P00519 4/20 0.42
RAF1 P04049 3/20 0.42
BRAF P15056 3/20 0.42
PTGS2 P35354 1/20 0.41
KDR P35968 1/20 0.40
USP36 Q9P275 1/20 0.40
TACR2 P21452 1/20 0.40
SSTR5 P35346 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 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
SCHEMBL2112559 0.91 CNR1 (0.53) CNR1SCN10ASCN2AKCNH2SCN5A
SCHEMBL2112957 0.90 CNR1 (0.54) CNR1SCN10ASCN2AKCNH2SCN5A
SCHEMBL2113543 0.89 CNR1 (0.50) CNR1SCN10ASCN2AKCNH2SCN5A
SCHEMBL2114631 0.89 CNR1 (0.51) CNR1SCN10ASCN2AKCNH2SCN5A
SCHEMBL2114390 0.89 CNR1 (0.53) CNR1SCN10ASCN2AKCNH2SCN5A
SCHEMBL2113781 0.88 CNR1 (0.54) CNR1SCN10ASCN2AKCNH2SCN5A
SCHEMBL2114487 0.87 KCNH2 (0.53) CNR1SCN10ASCN2AKCNH2SCN5A
SCHEMBL2113119 0.86 CNR1 (0.54) CNR1SCN10ASCN2AKCNH2SCN5A
SCHEMBL2113414 0.86 CNR1 (0.54) CNR1SCN10ASCN2AKCNH2SCN5A
SCHEMBL2114838 0.85 CNR1 (0.55) CNR1SCN10ASCN2AKCNH2SCN5A

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 17 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
CN-103153957-B N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMAN-LA ROCHE LTD. (CH) 2016-01-20 CN 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
CN-103153957-A N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN LA ROCHE 2013-06-12 CN 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
CN-103153957-B N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMAN-LA ROCHE LTD. (CH) 2016-01-20 CN 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
CN-103153957-A N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN LA ROCHE 2013-06-12 CN 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
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 68/4885SCN10A 2120/4885SCN2A 1580/4885

“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.