SCHEMBL4318928

SCHEMBL4318928

COc1cc(OC)c(C(F)(F)F)cc1NC(=O)Nc1cc(Cn2ccnc2-c2ccncc2)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 6/20 0.48
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
KDR P35968 2/20 0.38
RAF1 P04049 2/20 0.38
TEK Q02763 1/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 3/20 0.37
CYP1A2 P05177 1/20 0.37
HTR2A P28223 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FLT1 P17948 1/20 0.37
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL4325594 0.89 EPHB4 (0.58) EPHB4HTR2CKDRRAF1TEK
SCHEMBL4321389 0.88 KDR (0.48) EPHB4KDRRAF1TEKMAPT
SCHEMBL4330695 0.87 MAPT (0.47) EPHB4ITGB1ITGA4MAPTMEN1
SCHEMBL4327879 0.84 EPHB4 (0.47) EPHB4ITGB1ITGA4KDRTEK
SCHEMBL4325178 0.84 KMT2A (0.48) EPHB4MAPTMEN1KMT2ATP53
SCHEMBL4325630 0.82 EPHB4 (0.48) EPHB4ITGB1ITGA4KDRTEK
SCHEMBL4328514 0.81 KDR (0.49) EPHB4KDRRAF1TEKMAPT
SCHEMBL4329334 0.80 KDR (0.46) EPHB4KDRRAF1TEKMAPT
SCHEMBL4330735 0.80 MAPT (0.55) EPHB4KDRRAF1TEKMAPT
SCHEMBL4326281 0.80 EPHB4 (0.49) EPHB4KDRTEKMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858877-B1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2014-03-12 EP claimed
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 claimed
US-20060211738-A1 Certain substituted diphenyl ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-21 US claimed
EP-1858877-B1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2014-03-12 EP disclosed
EP-1858877-B1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2014-03-12 EP disclosed
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-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-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 EPHB4 2943/4885HTR2C 2807/4885HTR2B 3313/4885

“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.