SCHEMBL5568518

SCHEMBL5568518

O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccc(OCCN2CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.62
MCHR1 Q99705 1/20 0.60
HTR2A P28223 7/20 0.58
HTR2C P28335 7/20 0.58
BRAF P15056 2/20 0.54
MAPK14 Q16539 2/20 0.54
LTA4H P09960 1/20 0.52
KDR P35968 2/20 0.52
TNNI3K Q59H18 1/20 0.52
RAF1 P04049 5/20 0.51
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL5565177 0.87 SRC (0.69) SRCMCHR1HTR2AHTR2CBRAF
SCHEMBL5569333 0.86 MCHR1 (0.63) MCHR1HTR2AHTR2CLTA4HKDR
SCHEMBL5569396 0.86 MCHR1 (0.66) SRCMCHR1HTR2AHTR2CLTA4H
SCHEMBL5565308 0.84 LTA4H (0.74) MCHR1LTA4HHRH3
SCHEMBL3166510 0.83 KDR (0.60) SRCHTR2AHTR2CBRAFMAPK14
SCHEMBL5568243 0.79 KDR (0.58) SRCHTR2AHTR2CBRAFMAPK14
SCHEMBL3185956 0.79 SRC (0.60) SRCHTR2AHTR2CBRAFMAPK14
SCHEMBL19911109 0.77 SRC (1.00) SRCBRAFMAPK14KDRTNNI3K
SCHEMBL16990649 0.75 FLT1 (0.49) SRCHTR2ABRAFMAPK14LTA4H
SCHEMBL14453610 0.75 RAF1 (0.73) SRCMCHR1HTR2AHTR2CBRAF

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 SRC 385/4885MCHR1 4656/4885HTR2A 4603/4885

“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.