SCHEMBL2113543

SCHEMBL2113543

CCOC(=O)c1cncc(C(=O)Nc2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.50
SCN10A Q9Y5Y9 3/20 0.47
KCNH2 Q12809 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
ABL1 P00519 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATF1 P18846 1/20 0.40
NFKB1 P19838 1/20 0.40
RAF1 P04049 3/20 0.40
BRAF P15056 3/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL2114684 0.89 CNR1 (0.53) CNR1SCN10AKCNH2SCN5ASCN2A
SCHEMBL2112559 0.89 CNR1 (0.53) CNR1SCN10AKCNH2SCN5ASCN2A
SCHEMBL2112957 0.88 CNR1 (0.54) CNR1SCN10AKCNH2SCN5ASCN2A
SCHEMBL2114390 0.87 CNR1 (0.53) CNR1SCN10AKCNH2SCN5ASCN2A
SCHEMBL2114631 0.86 CNR1 (0.51) CNR1SCN10AKCNH2SCN5ASCN2A
SCHEMBL2113781 0.85 CNR1 (0.54) CNR1SCN10AKCNH2SCN5ASCN2A
SCHEMBL2114487 0.83 KCNH2 (0.53) CNR1SCN10AKCNH2SCN5ASCN2A
SCHEMBL2113119 0.83 CNR1 (0.54) CNR1SCN10AKCNH2SCN5ASCN2A
SCHEMBL2113414 0.83 CNR1 (0.54) CNR1SCN10AKCNH2SCN5ASCN2A
SCHEMBL2114838 0.82 CNR1 (0.55) CNR1SCN10AKCNH2SCN5ASCN2A

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 68/4885SCN10A 2120/4885KCNH2 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.