SCHEMBL5124752

SCHEMBL5124752

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(C(=O)O)cc3)c2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.51
BRAF P15056 4/20 0.51
RAF1 P04049 1/20 0.51
RAB9A P51151 4/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
KDM5B Q9UGL1 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KDM5A P29375 1/20 0.47
KDM5C P41229 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK14 Q16539 1/20 0.46
NFKB1 P19838 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
SCHEMBL14266582 0.92 RAB9A (0.51) KDRBRAFRAF1RAB9ACA1
SCHEMBL4289196 0.91 RAB9A (0.55) KDRBRAFRAF1RAB9ACA1
SCHEMBL3991948 0.91 KDM5B (0.51) KDRBRAFRAF1RAB9ACA1
SCHEMBL3992181 0.91 BRAF (0.54) KDRBRAFRAF1RAB9ACA1
SCHEMBL14273316 0.90 CA1 (0.50) KDRBRAFRAF1RAB9ACA1
SCHEMBL14266590 0.90 KDR (0.53) KDRBRAFRAF1RAB9AKDM5B
SCHEMBL14266568 0.89 BRAF (0.49) KDRBRAFRAF1RAB9ACA1
SCHEMBL3991957 0.89 BRAF (0.51) KDRBRAFRAF1RAB9ACA1
SCHEMBL14266583 0.89 BRAF (0.49) KDRBRAFRAF1RAB9ACA1
SCHEMBL5131048 0.89 RAB9A (0.57) KDRBRAFRAF1RAB9ACA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US 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 KDR 1073/4885BRAF 242/4885RAF1 251/4885

“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.