SCHEMBL3986245

SCHEMBL3986245

NCc1cc(Oc2cccc(CCNC(=O)c3cccc(C(F)(F)F)c3)c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.50
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
KDR P35968 1/20 0.47
LOXL2 Q9Y4K0 8/20 0.46
LOX P28300 6/20 0.46
MAPK14 Q16539 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
GPR52 Q9Y2T5 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45

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
SCHEMBL3992343 0.89 MAPK14 (0.49) CDK8ALDH1A1POLBKDRMAPK14
SCHEMBL14273279 0.89 CDK8 (0.51) CDK8ALDH1A1POLBKDRMAPK14
SCHEMBL14266655 0.85 CDK8 (0.46) CDK8ALDH1A1POLBKDRMAPK14
SCHEMBL5128867 0.85 CDK8 (0.45) CDK8ALDH1A1POLBKDRMAPK14
SCHEMBL3984330 0.84 KDR (0.67) CDK8ALDH1A1POLBKDRMAPK14
SCHEMBL5116674 0.84 CDK8 (0.49) CDK8ALDH1A1POLBKDRMAPK14
SCHEMBL3984127 0.84 GPR52 (0.52) CDK8ALDH1A1POLBKDRMAPK14
SCHEMBL5114940 0.83 WDR5 (0.49) CDK8
SCHEMBL14266570 0.83 CDK8 (0.49) CDK8ALDH1A1POLBKDRMAPK14
SCHEMBL3986477 0.81 KDR (0.59) CDK8KDR

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
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
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 369/4885ALDH1A1 3788/4885POLB 3009/4885

“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.