SCHEMBL13755147

SCHEMBL13755147

COc1cc(C#N)c(C)c(C#N)c1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
KDM4E B2RXH2 3/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AR P10275 3/20 0.40
SRC P12931 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL13755059 0.80 EGFR (0.41) KDM4EUSP2ALDH1A1ARMAOA
Ethylene SCHEMBL27960883 0.78 KDM4E (0.41) ACHEKDM4EUSP2ALDH1A1AR
SCHEMBL13748975 0.77 AKR1B1 (0.42) KDM4EUSP2ALDH1A1ARSRC
SCHEMBL1728934 0.76 KDM4E (0.40) ACHEKDM4EUSP2ALDH1A1AR
SCHEMBL23880593 0.73 ALDH1A1 (0.52) KDM4EUSP2ALDH1A1ARMAOA
SCHEMBL12957782 0.73 ALDH1A1 (0.52) KDM4EUSP2ALDH1A1ARMAOA
SCHEMBL31432656 0.73 ACHE (0.45) ACHEKDM4EALDH1A1PDE4APDE4B
SCHEMBL31432852 0.73 ACHE (0.61) ACHEKDM4EUSP2ALDH1A1AR
SCHEMBL7336233 0.73 KDM4E (0.52) ACHEKDM4EUSP2ALDH1A1SRC
SCHEMBL6968151 0.73 KDM4E (0.52) ACHEKDM4EUSP2ALDH1A1SRC

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
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-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 (3 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-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ACHE 4715/4885KDM4E 201/4885USP2 1283/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 ACHE 4715/4885KDM4E 201/4885USP2 1283/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ACHE 4715/4885KDM4E 201/4885USP2 1283/4885

“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.