SCHEMBL13748246

SCHEMBL13748246

COCc1cc(Cl)c(C(C)C)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.34
CSNK2A1 P68400 2/20 0.34
THRB P10828 1/20 0.33
RORC P51449 1/20 0.33
IDO1 P14902 6/20 0.32
TSHR P16473 1/20 0.31
CRHR1 P34998 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16592917 0.78 PRKCE (0.35) MEN1KMT2AL3MBTL1
SCHEMBL15000317 0.78 AKR1B1 (0.30)
SCHEMBL20233095 0.77 THRB (0.34) THRBRORC
SCHEMBL13755087 0.77 IDO1 (0.34) IDO1TSHRCRHR1MEN1KMT2A
SCHEMBL23025142 0.76 ACLY (0.35) IDO1TSHRCRHR1MEN1KMT2A
SCHEMBL12985880 0.75 PNMT (0.38) PNMTCSNK2A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL18100996 0.74 IDO1 (0.35) PNMTCSNK2A1IDO1TSHRCRHR1
SCHEMBL13232231 0.74 IDO1 (0.41) PNMTIDO1L3MBTL1HPGDSMN1; SMN2
SCHEMBL807271 0.73 THRB (0.44) PNMTCSNK2A1THRBRORCHPGD
SCHEMBL807531 0.73 CSNK2A1 (0.48) PNMTCSNK2A1

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 7 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
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 PNMT 1891/4885CSNK2A1 1219/4885THRB 4318/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 PNMT 1891/4885CSNK2A1 1219/4885THRB 4318/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 PNMT 1891/4885CSNK2A1 1219/4885THRB 4318/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 PNMT 1891/4885CSNK2A1 1219/4885THRB 4318/4885

“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.