SCHEMBL4424951

SCHEMBL4424951

CC(C)(C)c1cccc(C(=O)NCCc2cccc(Oc3ccnc(-c4ncc(CO)[nH]4)c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.43
KDM5B Q9UGL1 2/20 0.42
CDK8 P49336 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
RAF1 P04049 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CYP3A4 P08684 2/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT1 P17948 1/20 0.39

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
SCHEMBL4106626 0.82 KDM5B (0.43) BRAFKDM5BCDK8KDM4EKDM5A
SCHEMBL3990381 0.80 KDR (0.55) BRAFKDM5BRAF1CA1CA2
SCHEMBL4107333 0.80 CHRM3 (0.50) CDK8KDM4ERAF1ROCK2ROCK1
SCHEMBL4115551 0.79 BRAF (0.50) BRAFKDM5BCA1CA2CA7
SCHEMBL4105421 0.79 HRH3 (0.44) BRAFCDK8RAF1ROCK2ROCK1
SCHEMBL545139 0.78 RAF1 (0.49) BRAFRAF1CYP3A4LCKFYN
SCHEMBL5115919 0.77 RAB9A (0.45) KDM5BKDM4EKDM5AKDM5CRAF1
SCHEMBL5123274 0.77 RAF1 (0.52) RAF1NPC1RAB9A
SCHEMBL4097463 0.77 CDK8 (0.45) BRAFCDK8RAF1ROCK2ROCK1
SCHEMBL4111366 0.77 BRAF (0.56) BRAFRAF1KDR

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 3 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
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 BRAF 242/4885KDM5B 240/4885CDK8 369/4885

“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.