SCHEMBL2114487

SCHEMBL2114487

O=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
CNR1 P21554 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
ANO1 Q5XXA6 1/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
TRPA1 O75762 1/20 0.46
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2115661 0.92 MEN1 (0.51) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL2114838 0.91 CNR1 (0.55) KCNH2SCN5ASCN2ASCN10ACNR1
SCHEMBL2117151 0.91 RAB9A (0.55) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL2113273 0.91 L3MBTL1 (0.59) KCNH2SCN5ASCN2ASCN10ACNR1
SCHEMBL2113428 0.90 MEN1 (0.53) KCNH2SCN5ASCN2ASCN10ASMN1; SMN2
SCHEMBL2113119 0.90 CNR1 (0.54) KCNH2SCN5ASCN2ASCN10ACNR1
SCHEMBL2113781 0.90 CNR1 (0.54) KCNH2SCN5ASCN2ASCN10ACNR1
SCHEMBL2111927 0.89 L3MBTL1 (0.51) KCNH2SCN5ASCN2ASCN10ASMN1; SMN2
SCHEMBL2115920 0.89 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL2114247 0.88 MAPT (0.52) SMN1; SMN2MEN1KMT2ARAB9ANPC1

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 13 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
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 EP claimed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US claimed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US 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
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 KCNH2 839/4885SCN5A 816/4885SCN2A 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.