SCHEMBL5565308

SCHEMBL5565308

O=C(Nc1ccc(OCCN2CCCC2)cc1)Nc1ccc(Oc2ccncc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.74
HRH3 Q9Y5N1 8/20 0.69
MCHR1 Q99705 1/20 0.59
KCNH2 Q12809 1/20 0.54
PTGS2 P35354 3/20 0.53
PTGS1 P23219 1/20 0.53
PIK3CA P42336 1/20 0.53
MTOR P42345 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
SCHEMBL5569333 0.86 MCHR1 (0.63) LTA4HHRH3MCHR1
SCHEMBL5569396 0.86 MCHR1 (0.66) LTA4HHRH3MCHR1
SCHEMBL5621111 0.86 HRH3 (0.60) LTA4HHRH3MCHR1KCNH2
SCHEMBL5568518 0.84 SRC (0.62) LTA4HHRH3MCHR1
SCHEMBL5568993 0.83 MAPK14 (0.69) LTA4HHRH3MCHR1PTGS2
SCHEMBL1410603 0.83 MAPK13 (0.72)
SCHEMBL1410596 0.82 MAPK13 (0.71)
SCHEMBL25059331 0.80 LTA4H (0.87) LTA4HHRH3PTGS2PTGS1
SCHEMBL1410476 0.79 MAPK13 (0.64)
SCHEMBL18837471 0.79 LTA4H (0.84) LTA4HHRH3PTGS2

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 LTA4H 4652/4885HRH3 2940/4885MCHR1 4656/4885

“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.