SCHEMBL4325587

SCHEMBL4325587

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(-n2cc(C)nc2-c2ccncc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.44
TEK Q02763 3/20 0.44
EPHB4 P54760 1/20 0.44
MLYCD O95822 1/20 0.43
RAF1 P04049 11/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK14 Q16539 2/20 0.40
BRAF P15056 1/20 0.40
MALT1 Q9UDY8 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
SCHEMBL4324526 0.87 KDR (0.48) KDRTEKEPHB4RAF1HPGD
SCHEMBL15501031 0.80 KDR (0.48) KDRTEKEPHB4MLYCDRAF1
SCHEMBL4332993 0.79 KDR (0.48) KDRTEKEPHB4RAF1HPGD
SCHEMBL4323318 0.79 KDR (0.48) KDRTEKEPHB4RAF1SMN1; SMN2
SCHEMBL4321789 0.79 CYP1A2 (0.49) KDRTEKEPHB4MLYCDRAF1
SCHEMBL4318354 0.78 RAF1 (0.55) KDRTEKEPHB4RAF1SMN1; SMN2
SCHEMBL4325571 0.77 RAF1 (0.47) KDRTEKEPHB4RAF1BRAF
SCHEMBL4336983 0.77 KDR (0.46) KDRTEKEPHB4RAF1HPGD
SCHEMBL4326481 0.77 KDR (0.47) KDRTEKEPHB4RAF1HPGD
SCHEMBL4323326 0.76 RAF1 (0.57) KDRTEKEPHB4RAF1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625931-B2 1-(5-Chloro-2,4-dimethoxy-phenyl)-3-[3-(2-pyridin-4-yl-imidazol-1-ylmethyl)-phenyl]-urea; treating cancer and diseases characterized by a change in angiogenesis; breast neoplasia, endometrial cancer, colon and neck cancer CGI PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-20060211738-A1 Certain substituted diphenyl ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-21 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-20060211738-A1 Certain substituted diphenyl ureas, as modulators of kinase activity UCK2, AXL, CHUK KDR 55/4885TEK 245/4885EPHB4 2943/4885

“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.