SCHEMBL3986272

SCHEMBL3986272

CC(=O)Nc1cc(Oc2cccc(CCNC(=O)c3ccc(F)c(C(F)(F)F)c3)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.45
BRAF P15056 9/20 0.44
KDR P35968 6/20 0.44
GRM5 P41594 2/20 0.43
MAPK14 Q16539 1/20 0.43
RAF1 P04049 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
CDK8 P49336 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL3994618 0.91 RAF1 (0.54) BRAFKDRGRM5RAF1TRPV1
SCHEMBL3985934 0.89 KDR (0.58) BRAFKDR
SCHEMBL3984127 0.87 GPR52 (0.52) NR3C2BRAFKDRGRM5MAPK14
SCHEMBL14273368 0.86 TRPV1 (0.45) NR3C2BRAFRAF1TRPV1CDK8
SCHEMBL5123479 0.85 RAF1 (0.57) BRAFKDRMAPK14RAF1TRPV1
SCHEMBL3989075 0.85 GPR52 (0.50) NR3C2BRAFKDRMAPK14GPR52
SCHEMBL3991944 0.84 GRM5 (0.58) GRM5TRPV1
SCHEMBL5119964 0.83 NPC1 (0.55) NR3C2BRAFGRM5
SCHEMBL4293095 0.83 GRM5 (0.49) NR3C2BRAFGRM5TRPV1CA1
SCHEMBL4115551 0.82 BRAF (0.50) NR3C2BRAFKDRGRM5MAPK14

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 4 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

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 NR3C2 3563/4885BRAF 242/4885KDR 1073/4885

“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.