SCHEMBL2113751

SCHEMBL2113751

Cc1ocnc1C(=O)Nc1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CNR1 P21554 5/20 0.51
NAMPT P43490 1/20 0.44
GRM1 Q13255 6/20 0.44
GRM4 Q14833 5/20 0.44
BCL9 O00512 6/20 0.44
CTNNB1 P35222 6/20 0.44
TACR2 P21452 1/20 0.39

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
SCHEMBL17866256 0.88 CNR1 (0.49) KDM4ENPC1RAB9ACNR1BCL9
SCHEMBL2113379 0.81 KDM4E (0.55) KDM4ENPC1RAB9ACNR1NAMPT
SCHEMBL2112938 0.81 CNR1 (0.57) CNR1BCL9CTNNB1TACR2
SCHEMBL10233773 0.80 CNR1 (0.53) CNR1BCL9CTNNB1TACR2
SCHEMBL2113194 0.80 CNR1 (0.55) KDM4ENPC1RAB9ACNR1BCL9
SCHEMBL2112990 0.79 CNR1 (0.56) NPC1RAB9ACNR1BCL9CTNNB1
SCHEMBL12469753 0.77 CNR1 (0.52) CNR1BCL9CTNNB1TACR2
SCHEMBL23833492 0.72 KDM4E (0.59) KDM4ENPC1RAB9ANAMPTGRM1
SCHEMBL411076 0.72 CNR1 (0.67) CNR1TACR2
SCHEMBL12469957 0.70 CNR1 (0.49) CNR1BCL9CTNNB1TACR2

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 KDM4E 1664/4885NPC1 7/4885RAB9A 3480/4885

“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.