SCHEMBL2116818

SCHEMBL2116818

O=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)c1cc[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.51
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
PTGS2 P35354 2/20 0.41
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
AXL P30530 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
FRK P42685 1/20 0.38
CLK2 P49760 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2B Q13554 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
SCHEMBL17866283 0.85 CNR1 (0.47) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2113588 0.85 CNR1 (0.49) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2117015 0.85 CNR1 (0.52) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2113292 0.85 CNR1 (0.52) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2112441 0.85 CNR1 (0.52) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2114583 0.84 CNR1 (0.51) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2114838 0.84 CNR1 (0.55) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2115870 0.83 CNR1 (0.56) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2113119 0.83 CNR1 (0.54) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2113781 0.83 CNR1 (0.54) 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 5 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-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 68/4885KCNH2 839/4885SCN5A 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.