SCHEMBL13748003

SCHEMBL13748003

COc1ccc(C#N)c(C(C)C)c1F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
AR P10275 12/20 0.44
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
PGR P06401 1/20 0.35

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
SCHEMBL23088258 0.87 ALDH1A1 (0.47) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL17988478 0.81 TRPV4 (0.36) IMPDH2IMPDH1ARMAOAMAOB
SCHEMBL13748302 0.81 IMPDH2 (0.51) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL9723166 0.80 ALDH1A1 (0.53) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL13748000 0.78 TRPV4 (0.38) IMPDH2IMPDH1ARMAOAMAOB
SCHEMBL13748359 0.77 TSHR (0.38) IMPDH2IMPDH1ALDH1A1ARMAOA
SCHEMBL15334800 0.77 ALDH1A1 (0.50) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL13711373 0.76 TUBB1 (0.38) KDM4E
SCHEMBL17229331 0.76 AR (0.46) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL23835358 0.75 ALDH1A1 (0.49) IMPDH2IMPDH1ALDH1A1KDM4EUSP2

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 8 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-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-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 IMPDH2 1995/4885IMPDH1 1471/4885ALDH1A1 3705/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 IMPDH2 1995/4885IMPDH1 1471/4885ALDH1A1 3705/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 IMPDH2 1995/4885IMPDH1 1471/4885ALDH1A1 3705/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 IMPDH2 1995/4885IMPDH1 1471/4885ALDH1A1 3705/4885

“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.