SCHEMBL4331400

SCHEMBL4331400

COc1cc(OC)c(N(S)C(=O)Nc2cccc(Cn3ccnc3-c3ccncc3)c2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.40
MAPT P10636 5/20 0.38
MAPK14 Q16539 3/20 0.38
POLB P06746 2/20 0.38
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIMK2 P53671 1/20 0.37
BRD4 O60885 1/20 0.37
CYP3A4 P08684 2/20 0.36
FGFR3 P22607 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
PAX8 Q06710 1/20 0.35

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
SCHEMBL4326485 0.84 EPHB4 (0.56) EPHB4MAPTMAPK14POLBCYP3A4
SCHEMBL4331398 0.80 MAPT (0.56) EPHB4MAPTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL4323882 0.77 EPHB4 (0.56) EPHB4MAPTPOLBTHRBSMN1; SMN2
SCHEMBL4329653 0.76 EPHB4 (0.56) EPHB4MAPTSMN1; SMN2USP2GAA
SCHEMBL4325575 0.75 EPHB4 (0.56) EPHB4MAPTSMN1; SMN2LMNAUSP2
SCHEMBL4324301 0.75 MAPT (0.52) EPHB4MAPTPOLBSMN1; SMN2LMNA
SCHEMBL4332950 0.74 EPHB4 (0.56) EPHB4MAPTTHRBSMN1; SMN2LMNA
SCHEMBL4330165 0.74 MAPK14 (0.49) EPHB4MAPTMAPK14POLBSMN1; SMN2
SCHEMBL4325594 0.74 EPHB4 (0.58) EPHB4MAPTMAPK14SMN1; SMN2CYP1A2
SCHEMBL4330695 0.73 MAPT (0.47) EPHB4MAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858877-A1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY CGI Pharmaceuticals, Inc. (US) 2007-11-28 EP claimed
US-20060211738-A1 Certain substituted diphenyl ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-21 US claimed
WO-2006076592-A1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2006-07-20 WO 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 disclosed
EP-1858877-A1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY CGI Pharmaceuticals, Inc. (US) 2007-11-28 EP disclosed
US-20060211738-A1 Certain substituted diphenyl ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-21 US disclosed
WO-2006076592-A1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2006-07-20 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-20060211738-A1 Certain substituted diphenyl ureas, as modulators of kinase activity UCK2, AXL, CHUK EPHB4 2943/4885MAPT 1868/4885MAPK14 334/4885

“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.