SCHEMBL2114583

SCHEMBL2114583

O=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)c1ccncn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
GSK3A P49840 8/20 0.46
GSK3B P49841 8/20 0.46
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
GRM4 Q14833 1/20 0.44
PTGS2 P35354 2/20 0.41
ABL1 P00519 2/20 0.40
P2RX7 Q99572 1/20 0.39
MAPT P10636 1/20 0.39
ATR Q13535 1/20 0.38
GRM5 P41594 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
SCHEMBL2113292 0.89 CNR1 (0.52) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2113119 0.89 CNR1 (0.54) CNR1GSK3AGSK3BKCNH2SCN5A
SCHEMBL2112441 0.87 CNR1 (0.52) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2113781 0.87 CNR1 (0.54) CNR1GSK3AGSK3BKCNH2SCN5A
SCHEMBL17866263 0.87 CNR1 (0.46) CNR1GSK3AGSK3BKCNH2SCN5A
SCHEMBL2112015 0.85 CNR1 (0.49) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2114487 0.85 KCNH2 (0.53) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2117015 0.85 CNR1 (0.52) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2114614 0.84 CNR1 (0.49) CNR1GSK3AGSK3BKCNH2SCN5A
SCHEMBL2116818 0.84 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 68/4885GSK3A 3201/4885GSK3B 3167/4885

“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.