SCHEMBL4931395

SCHEMBL4931395

O=C(Nc1ccc(Oc2cc(Cl)ncn2)cc1)Nc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.60
BRAF P15056 7/20 0.60
RAF1 P04049 6/20 0.58
MAPK14 Q16539 6/20 0.54
TNNI3K Q59H18 6/20 0.54
MAPK3 P27361 1/20 0.53
CDK8 P49336 1/20 0.53
PDGFRB P09619 1/20 0.52
KIT P10721 1/20 0.52
PDGFRA P16234 1/20 0.52
FGFR2 P21802 1/20 0.52
FLT3 P36888 1/20 0.52

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
SCHEMBL3167291 0.89 KDR (0.74) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL4933174 0.88 KDR (0.70) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL3177365 0.87 KDR (0.61) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL4933039 0.87 KDR (0.71) KDRBRAFRAF1MAPK14TNNI3K
Dimethylamine SCHEMBL4937315 0.85 RAF1 (0.61) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL4937306 0.83 KDR (0.59) KDRBRAFRAF1MAPK14TNNI3K
Diethylamine SCHEMBL4940356 0.82 KDR (0.56) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL3166295 0.82 KDR (0.79) KDRBRAFMAPK14TNNI3K
SCHEMBL4940351 0.81 KDR (0.59) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL3174505 0.80 CDK8 (0.71) KDRBRAFRAF1MAPK14TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA KDR 1309/4885BRAF 65/4885RAF1 100/4885

“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.