SCHEMBL4325546

SCHEMBL4325546

Nc1cccc(Cn2ccnc2-c2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
BRD4 O60885 4/20 0.45
LIMK2 P53671 1/20 0.43
HTR6 P50406 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLAU P00749 1/20 0.39
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
ROCK1 Q13464 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 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
SCHEMBL2840217 0.82 LIMK2 (0.58) BRD4LIMK2HTR6CYP3A4HSD17B10
SCHEMBL4486484 0.80 CYP11B1 (0.51) CYP11B1CYP11B2PLAU
SCHEMBL4329280 0.78 ALDH1A1 (0.48) CYP11B1CYP11B2BRD4LIMK2CYP19A1
SCHEMBL3155427 0.77 LIMK2 (0.59) BRD4LIMK2HTR6CYP3A4CYP19A1
SCHEMBL17621 0.74 HSD17B10 (0.62) CYP11B1CYP11B2BRD4LIMK2CYP3A4
Fluoride SCHEMBL10339918 0.72 HSD17B10 (0.60) CYP11B1CYP11B2BRD4LIMK2CYP3A4
Hydrochloric Acid SCHEMBL233781 0.72 HSD17B10 (0.60) CYP11B1CYP11B2BRD4LIMK2CYP3A4
Iodide SCHEMBL28519464 0.72 HSD17B10 (0.60) CYP11B1CYP11B2BRD4LIMK2CYP3A4
Bromide SCHEMBL811908 0.72 HSD17B10 (0.60) CYP11B1CYP11B2BRD4LIMK2CYP3A4
Fluoride Ion SCHEMBL10906965 0.71 LIMK2 (0.59) CYP11B1CYP11B2BRD4LIMK2CYP3A4

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 8 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 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
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 CYP11B1 1661/4885CYP11B2 1970/4885BRD4 1455/4885

“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.