SCHEMBL5586072

SCHEMBL5586072

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
RAF1 P04049 8/20 0.46
BRAF P15056 2/20 0.43
MAPK14 Q16539 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PTGER3 P43115 1/20 0.40
ICMT O60725 1/20 0.39

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
SCHEMBL5586075 0.91 KDR (0.47) KDREPHB4TEKRAF1BRAF
SCHEMBL5586037 0.89 RIPK1 (0.46) KDREPHB4TEKBRAFPTGER3
SCHEMBL5593089 0.88 EPHB4 (0.54) KDREPHB4TEKRAF1BRAF
SCHEMBL5959796 0.88 MEN1 (0.50) EPHB4MAPTMEN1KMT2AKDM4E
SCHEMBL5585994 0.88 EPHB4 (0.45) KDREPHB4TEKMAPK14MAPT
Cyclopropane SCHEMBL9104865 0.86 KDR (0.45) KDREPHB4TEKRAF1BRAF
SCHEMBL167503 0.83 KDR (0.46) KDREPHB4TEKRAF1BRAF
SCHEMBL5592801 0.82 CYP1A2 (0.49) KDREPHB4TEKKMT2APTGER3
SCHEMBL5959728 0.81 RAF1 (0.54) KDREPHB4TEKRAF1BRAF
SCHEMBL5592480 0.80 EPHB4 (0.47) KDREPHB4TEKRAF1BRAF

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-1858879-B1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2012-06-06 EP claimed
EP-1858879-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI Pharmaceuticals, Inc. (US) 2007-11-28 EP claimed
US-20060199846-A1 Certain substituted ureas as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-07 US claimed
WO-2006076593-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2006-07-20 WO claimed
EP-1858879-B1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2012-06-06 EP disclosed
EP-2397478-A1 1,3-diaryl substituted ureas as modulators of kinase activity. CGI Pharmaceuticals, Inc. (US) 2011-12-21 EP disclosed
EP-1858879-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI Pharmaceuticals, Inc. (US) 2007-11-28 EP disclosed
US-20060199846-A1 Certain substituted ureas as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-07 US disclosed
WO-2006076593-A1 1,3-DIARYL SUBSTITUTED 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-20060199846-A1 Certain substituted ureas as modulators of kinase activity UCK2, CHUK, AXL KDR 72/4885EPHB4 3357/4885TEK 302/4885

“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.