SCHEMBL13748017

SCHEMBL13748017

CSc1cc(C#N)c(C(C)C)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
MCL1 Q07820 2/20 0.36
AR P10275 4/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM5A P29375 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13748048 0.82 AR (0.49) MAOAMAOBMCL1ARKDM5A
SCHEMBL13748261 0.79 MAOA (0.44) MAOAMAOBMCL1ARKDM5A
SCHEMBL15097608 0.79 AR (0.39) MAOAMAOBMCL1ARKDM5A
SCHEMBL24407384 0.76 KDM5A (0.37) MAOAMAOBARKDM5AKDM4E
SCHEMBL13755157 0.76 CYP11B1 (0.37) MAOAMAOBMCL1ARCYP11B1
SCHEMBL20388928 0.75 MAOB (0.44) MAOAMAOBMCL1ARCYP11B1
SCHEMBL11960297 0.73 KDM5A (0.30) KDM5A
SCHEMBL13748798 0.72 AR (0.44) MAOAMAOBMCL1AR
SCHEMBL13748818 0.71 ALDH1A1 (0.40) MAOBARCYP11B1CYP11B2KDM4E
SCHEMBL13748266 0.70 MAOB (0.40) MAOAMAOBMCL1ARKDM5A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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 (4 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 MAOA 3578/4885MAOB 3692/4885MCL1 64/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 MAOA 3578/4885MAOB 3692/4885MCL1 64/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 MAOA 3578/4885MAOB 3692/4885MCL1 64/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 MAOA 3578/4885MAOB 3692/4885MCL1 64/4885

“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.