SCHEMBL2113194

SCHEMBL2113194

O=C(Nc1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1)c1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.55
ANO1 Q5XXA6 1/20 0.48
BCL9 O00512 4/20 0.47
CTNNB1 P35222 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
HSD11B1 P28845 2/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2112990 0.86 CNR1 (0.56) CNR1ANO1BCL9CTNNB1SMN1; SMN2
SCHEMBL2112938 0.83 CNR1 (0.57) CNR1BCL9CTNNB1
SCHEMBL2113751 0.80 KDM4E (0.54) CNR1BCL9CTNNB1NPC1RAB9A
SCHEMBL10233773 0.80 CNR1 (0.53) CNR1BCL9CTNNB1
SCHEMBL2113292 0.79 CNR1 (0.52) CNR1ANO1SMN1; SMN2KMT2ANPC1
SCHEMBL12469753 0.79 CNR1 (0.52) CNR1BCL9CTNNB1
SCHEMBL17866256 0.76 CNR1 (0.49) CNR1BCL9CTNNB1NPC1RAB9A
SCHEMBL411076 0.75 CNR1 (0.67) CNR1
SCHEMBL2114580 0.72 CNR1 (0.54) CNR1
SCHEMBL2116354 0.72 CNR1 (0.58) CNR1KMT2A

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 11 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
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 CNR1 68/4885ANO1 4446/4885BCL9 3922/4885

“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.