SCHEMBL13748320

SCHEMBL13748320

CC(C)c1c(C#N)cc(OC(F)(F)F)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.43
ACACB O00763 1/20 0.39
AR P10275 6/20 0.37
PGR P06401 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PDE2A O00408 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
TRPA1 O75762 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL13755153 0.79 AR (0.39) ACACBARPGRALDH1A1TRPA1
SCHEMBL24910283 0.78 AR (0.46) KDM5AACACBARPGRALDH1A1
SCHEMBL13748818 0.77 ALDH1A1 (0.40) ARPGRALDH1A1
SCHEMBL13748102 0.76 CYP11B1 (0.40) KDM5AARALDH1A1
SCHEMBL17125203 0.75 AR (0.49) KDM5AACACBARPGRPDE2A
SCHEMBL13749060 0.73 ALDH1A1 (0.38) ALDH1A1PDE2A
SCHEMBL22043331 0.73 PDE2A (0.44) KDM5AALDH1A1PDE2A
SCHEMBL15085131 0.73 PTGS1 (0.36) ALDH1A1PDE2ASCN5A
SCHEMBL13748332 0.73 KDM5A (0.32) KDM5A
SCHEMBL13748091 0.73 GLA (0.40) KDM5AACACBARALDH1A1

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 KDM5A 177/4885ACACB 2838/4885AR 3101/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 KDM5A 177/4885ACACB 2838/4885AR 3101/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 KDM5A 177/4885ACACB 2838/4885AR 3101/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 KDM5A 177/4885ACACB 2838/4885AR 3101/4885

“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.