SCHEMBL4097838

SCHEMBL4097838

O=C(NCCc1cccc(Oc2ccnc(-c3ncc[nH]3)c2)c1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.45
KDR P35968 7/20 0.42
TRPV1 Q8NER1 1/20 0.41
KDM5B Q9UGL1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5C P41229 1/20 0.39
RAF1 P04049 2/20 0.39
PPARG P37231 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
BRAF P15056 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
CETP P11597 1/20 0.38
FLT1 P17948 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL4105629 0.85 CDK8 (0.41) CDK8KDRTRPV1KDM5BKDM4E
SCHEMBL4111399 0.84 NPC1 (0.52) KDRKDM5BKDM4EKDM5AKDM5C
SCHEMBL14273368 0.84 TRPV1 (0.45) CDK8TRPV1RAF1PPARGNR1H2
SCHEMBL5123479 0.82 RAF1 (0.57) CDK8KDRTRPV1RAF1PPARG
SCHEMBL3986272 0.81 NR3C2 (0.45) CDK8KDRTRPV1RAF1BRAF
SCHEMBL3985934 0.79 KDR (0.58) KDRBRAF
SCHEMBL5123274 0.76 RAF1 (0.52) TRPV1RAF1
SCHEMBL4100756 0.76 CDK8 (0.51) CDK8KDRTRPV1KDM4ERAF1
SCHEMBL4119562 0.75 CDK8 (0.49) CDK8KDRTRPV1KDM4ERAF1
SCHEMBL14273278 0.75 CDK8 (0.54) CDK8TRPV1RAF1BRAF

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 369/4885KDR 1073/4885TRPV1 822/4885

“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.