SCHEMBL2113292

SCHEMBL2113292

O=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)c1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
ANO1 Q5XXA6 1/20 0.48
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL2112441 0.90 CNR1 (0.52) CNR1L3MBTL1KCNH2SCN5ASCN2A
SCHEMBL2114583 0.89 CNR1 (0.51) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2113119 0.88 CNR1 (0.54) CNR1ANO1NPC1RAB9AKCNH2
SCHEMBL2114487 0.86 KCNH2 (0.53) CNR1ANO1NPC1RAB9AL3MBTL1
SCHEMBL2117015 0.86 CNR1 (0.52) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2113781 0.86 CNR1 (0.54) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL17866251 0.85 CNR1 (0.47) CNR1ANO1RAB9ATSHRUSP2
SCHEMBL2114614 0.85 CNR1 (0.49) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL2116818 0.85 CNR1 (0.51) CNR1L3MBTL1KCNH2SCN5ASCN2A
SCHEMBL2114838 0.84 CNR1 (0.55) 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 68/4885ANO1 4446/4885NPC1 7/4885

“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.