SCHEMBL4171608

SCHEMBL4171608

COc1ccc(CCN(C)C(=O)C#Cc2ccccc2C(F)(F)F)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
RAB9A P51151 1/20 0.43
SMPD1 P17405 1/20 0.43
AOC3 Q16853 1/20 0.43
ABCB1 P08183 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL4175215 0.85 CDK8 (0.51) CDK8CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4174197 0.84 CDK8 (0.50) CDK8CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4183591 0.84 FFAR1 (0.51) KMT2A
SCHEMBL4174154 0.78 CDK8 (0.52) CDK8CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4176141 0.77 CDK8 (0.51) CDK8CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4178894 0.76 CDK8 (0.53) CDK8CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4183615 0.75 CDK8 (0.49) CDK8CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL10426074 0.74 KMT2A (0.60) CDK8CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL10879740 0.71 CDK8 (0.67) CDK8CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL14276933 0.71 CYP3A4 (0.66) CDK8CLK4CYP1A2CYP3A4CYP2D6

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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US claimed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US disclosed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 WO 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 (1 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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS FHIT, CYP3A43, DNPEP CDK8 3780/4885CLK4 3020/4885CYP1A2 37/4885

“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.