SCHEMBL5592980

SCHEMBL5592980

N#Cc1cc(Cn2ccc3c(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cccc32)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
ABL1 P00519 1/20 0.46
MAP2K2 P36507 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CLK2 P49760 1/20 0.46
CDK5 Q00535 1/20 0.46
ACVR1 Q04771 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
KDR P35968 3/20 0.44
EPHB4 P54760 1/20 0.44
TEK Q02763 1/20 0.44
RIPK1 Q13546 1/20 0.43
PDGFRB P09619 1/20 0.41
BRAF P15056 12/20 0.41
FGFR1 P11362 1/20 0.40
FGFR4 P22455 1/20 0.40
GCGR P47871 1/20 0.39
DYRK3 O43781 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
SCHEMBL5612386 0.87 KDR (0.45) KDREPHB4TEKRIPK1PDGFRB
SCHEMBL5592775 0.87 RIPK1 (0.49) ABL1KDREPHB4TEKRIPK1
SCHEMBL5586037 0.87 RIPK1 (0.46) ABL1KDREPHB4TEKRIPK1
SCHEMBL5612143 0.86 EPHB4 (0.52) ABL1KDREPHB4TEKRIPK1
SCHEMBL5959715 0.85 KDR (0.44) GSK3AGSK3BCLK4KDREPHB4
SCHEMBL5611567 0.85 MAPK14 (0.47) KDREPHB4TEKRIPK1BRAF
Cyclopropane SCHEMBL9107860 0.84 BRAF (0.43) GSK3AGSK3BCLK4KDREPHB4
SCHEMBL5959843 0.84 KDR (0.43) GSK3AGSK3BCLK4KDREPHB4
SCHEMBL9885318 0.83 KDR (0.55) KDRBRAF
SCHEMBL5586125 0.83 KDR (0.42) KDREPHB4TEKRIPK1BRAF

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-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-2397478-A1 1,3-diaryl substituted ureas as modulators of kinase activity. CGI Pharmaceuticals, Inc. (US) 2011-12-21 EP disclosed
US-20060199846-A1 Certain substituted ureas as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-09-07 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-20060199846-A1 Certain substituted ureas as modulators of kinase activity UCK2, CHUK, AXL GSK3A 1572/4885GSK3B 1942/4885CLK4 414/4885

“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.