SCHEMBL13748975

SCHEMBL13748975

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
AR P10275 2/20 0.40
KDM4E B2RXH2 2/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SRC P12931 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL13748190 0.82 AKR1B1 (0.44) AKR1B1ARKDM4EIMPDH2IMPDH1
SCHEMBL13755147 0.77 ACHE (0.42) ARKDM4EUSP2ALDH1A1MAOA
SCHEMBL13748302 0.76 IMPDH2 (0.51) ARKDM4EIMPDH2IMPDH1USP2
Ethylene SCHEMBL27960883 0.74 KDM4E (0.41) ARKDM4EIMPDH2IMPDH1USP2
SCHEMBL13748281 0.72 AR (0.41) ARKDM4EIMPDH2IMPDH1USP2
SCHEMBL1728934 0.72 KDM4E (0.40) ARKDM4EUSP2ALDH1A1MAOA
SCHEMBL10879435 0.72 AKR1B1 (0.33) AKR1B1ARMAOAMAOB
SCHEMBL13748818 0.71 ALDH1A1 (0.40) AKR1B1ARKDM4EIMPDH2IMPDH1
SCHEMBL3699913 0.70 IMPDH2 (0.49) ARKDM4EIMPDH2IMPDH1USP2
SCHEMBL15713191 0.69 ACHE (0.48) KDM4EALDH1A1HPGD

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 AKR1B1 3478/4885AR 3101/4885KDM4E 201/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 AKR1B1 3478/4885AR 3101/4885KDM4E 201/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 AKR1B1 3478/4885AR 3101/4885KDM4E 201/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 AKR1B1 3478/4885AR 3101/4885KDM4E 201/4885

“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.