SCHEMBL4108302

SCHEMBL4108302

Cc1ncc(-c2cc(Oc3cccc(CCNC(=O)c4cccc(C(F)(F)F)c4)c3)ccn2)o1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.47
GPR52 Q9Y2T5 5/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
KDR P35968 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
MAPK14 Q16539 1/20 0.42
TP53BP1 Q12888 1/20 0.41
SCD O00767 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL14273279 0.82 CDK8 (0.51) CDK8GPR52ALDH1A1POLBROCK2
SCHEMBL4118054 0.81 CDK8 (0.49) CDK8GPR52ALDH1A1POLBROCK2
SCHEMBL3984330 0.81 KDR (0.67) CDK8GPR52ALDH1A1POLBROCK2
SCHEMBL3992343 0.80 MAPK14 (0.49) CDK8GPR52ALDH1A1POLBROCK2
SCHEMBL3984127 0.80 GPR52 (0.52) CDK8GPR52ALDH1A1POLBROCK2
SCHEMBL3986245 0.80 CDK8 (0.50) CDK8GPR52ALDH1A1POLBROCK2
SCHEMBL14266570 0.80 CDK8 (0.49) CDK8GPR52ALDH1A1POLBROCK2
SCHEMBL5116674 0.79 CDK8 (0.49) CDK8GPR52ALDH1A1POLBROCK2
SCHEMBL4118924 0.78 KDR (0.51) CDK8GPR52ALDH1A1POLBROCK2
SCHEMBL14266655 0.77 CDK8 (0.46) CDK8GPR52ALDH1A1POLBROCK2

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
EP-2061761-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-05-27 EP disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 WO disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 CDK8 369/4885GPR52 1892/4885ALDH1A1 3788/4885

“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.