SCHEMBL5569333

SCHEMBL5569333

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.63
HRH3 Q9Y5N1 4/20 0.58
HTR2A P28223 11/20 0.57
HTR2C P28335 11/20 0.57
LTA4H P09960 1/20 0.55
KDR P35968 1/20 0.53

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
SCHEMBL5569396 0.88 MCHR1 (0.66) MCHR1HRH3HTR2AHTR2CLTA4H
SCHEMBL5565308 0.86 LTA4H (0.74) MCHR1HRH3LTA4H
SCHEMBL5568518 0.86 SRC (0.62) MCHR1HRH3HTR2AHTR2CLTA4H
SCHEMBL5943709 0.79 KDR (0.62) MCHR1HRH3HTR2AHTR2CLTA4H
SCHEMBL5621111 0.76 HRH3 (0.60) MCHR1HRH3LTA4H
SCHEMBL5564591 0.76 MCHR1 (0.67) MCHR1HTR2AHTR2CKDR
SCHEMBL14022013 0.76 EPHX1 (0.63) KDR
SCHEMBL5621809 0.75 MCHR1 (0.61) MCHR1HTR2AHTR2CKDR
SCHEMBL27720109 0.75 MAPK14 (0.52) MCHR1HRH3HTR2AHTR2CKDR
SCHEMBL5569661 0.75 GSK3B (0.60) MCHR1HRH3HTR2AHTR2CKDR

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 MCHR1 4656/4885HRH3 2940/4885HTR2A 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.