SCHEMBL5123479

SCHEMBL5123479

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(F)c(C(F)(F)F)c3)c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.57
BRAF P15056 9/20 0.57
KDR P35968 6/20 0.50
RET P07949 4/20 0.50
ABL1 P00519 3/20 0.46
EPHA2 P29317 3/20 0.46
MAPK14 Q16539 3/20 0.46
MAP3K20 Q9NYL2 3/20 0.46
PLK4 O00444 2/20 0.46
AURKA O14965 2/20 0.46
MAPK13 O15264 2/20 0.46
MAP4K4 O95819 2/20 0.46
LCK P06239 2/20 0.46
FYN P06241 2/20 0.46
LYN P07948 2/20 0.46
SRC P12931 2/20 0.46
RPS6KB1 P23443 2/20 0.46
AXL P30530 2/20 0.46
FRK P42685 2/20 0.46
MAPK9 P45984 2/20 0.46

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
SCHEMBL3989166 0.91 RAF1 (0.70) RAF1BRAFKDRRETABL1
SCHEMBL14266592 0.90 BRAF (0.51) RAF1BRAFKDRRETABL1
SCHEMBL14266541 0.90 RAF1 (0.56) RAF1BRAFKDRRETABL1
SCHEMBL3985600 0.89 BRAF (0.49) RAF1BRAFKDRRETABL1
SCHEMBL14266605 0.88 BRAF (0.55) RAF1BRAFKDRRETABL1
SCHEMBL14273368 0.87 TRPV1 (0.45) RAF1BRAFCA7CDK8CA9
SCHEMBL3989035 0.87 BRAF (0.49) RAF1BRAFKDRRETABL1
SCHEMBL3984330 0.87 KDR (0.67) RAF1BRAFKDRRETABL1
SCHEMBL3986272 0.85 NR3C2 (0.45) RAF1BRAFKDRMAPK14CA7
SCHEMBL3983677 0.85 RAF1 (0.58) RAF1BRAFKDRRETABL1

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
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

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 RAF1 251/4885BRAF 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.