SCHEMBL5568243

SCHEMBL5568243

O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccc(OCc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.58
MAPK14 Q16539 3/20 0.58
BRAF P15056 3/20 0.58
TNNI3K Q59H18 2/20 0.58
PPIA P62937 2/20 0.56
SRC P12931 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAF1 P04049 9/20 0.50
CDK8 P49336 2/20 0.48
PLK4 O00444 1/20 0.48
CIT O14578 1/20 0.48
AURKA O14965 1/20 0.48
MUSK O15146 1/20 0.48
EPHB6 O15197 1/20 0.48
MAPK13 O15264 1/20 0.48
MLNR O43193 1/20 0.48
MAP3K7 O43318 1/20 0.48
RIPK2 O43353 1/20 0.48
DYRK3 O43781 1/20 0.48

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
SCHEMBL5569362 0.86 RAF1 (0.69) KDRMAPK14BRAFTNNI3KSRC
SCHEMBL3166510 0.86 KDR (0.60) KDRMAPK14BRAFTNNI3KSRC
SCHEMBL3177329 0.80 KDR (0.64) KDRMAPK14BRAFTNNI3KSRC
SCHEMBL13528821 0.80 S1PR1 (0.54) KDRMAPK14BRAFTNNI3KPPIA
SCHEMBL5568518 0.79 SRC (0.62) KDRMAPK14BRAFTNNI3KSRC
SCHEMBL5568335 0.78 KDR (0.67) KDRMAPK14BRAFTNNI3KSRC
SCHEMBL939171 0.78 CDK8 (0.70) KDRMAPK14BRAFTNNI3KSRC
SCHEMBL3181311 0.77 RAF1 (0.70) KDRMAPK14BRAFTNNI3KSRC
SCHEMBL30462521 0.77 RAF1 (0.73) KDRMAPK14BRAFTNNI3KSRC
SCHEMBL3166444 0.77 KDR (0.68) KDRMAPK14BRAFTNNI3KSRC

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
JP-2007519653-A 2007-07-19 JP claimed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US claimed
EP-1730111-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-12-13 EP claimed
WO-2005075425-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-08-18 WO claimed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
EP-1730111-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-12-13 EP disclosed
WO-2005075425-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-08-18 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS KDR 532/4885MAPK14 233/4885BRAF 1/4885

“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.