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SCHEMBL5570091

SCHEMBL5570091

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C)c(Cl)cc3OCCN)cc2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.65
▸ RAF1 P04049 11/20 0.57
▸ KDR P35968 7/20 0.57
▸ MAPK14 Q16539 5/20 0.57
▸ EPHX2 P34913 4/20 0.57
▸ RET P07949 4/20 0.57
▸ BRAF P15056 4/20 0.57
▸ ABL1 P00519 3/20 0.57
▸ EPHA2 P29317 3/20 0.57
▸ MAP3K20 Q9NYL2 3/20 0.57
▸ RIPK2 O43353 3/20 0.57
▸ AURKB Q96GD4 3/20 0.57
▸ ABCB11 O95342 2/20 0.57
▸ HTR1A P08908 2/20 0.57
▸ PDGFRB P09619 2/20 0.57
▸ ADORA3 P0DMS8 2/20 0.57
▸ KIT P10721 2/20 0.57
▸ FGFR1 P11362 2/20 0.57
▸ PDGFRA P16234 2/20 0.57
▸ FLT1 P17948 2/20 0.57

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
SCHEMBL5570191 0.92 RET (0.58) GSK3BRAF1KDRMAPK14EPHX2
SCHEMBL5564720 0.92 GSK3B (0.65) GSK3BRAF1KDRMAPK14EPHX2
SCHEMBL5570068 0.90 GSK3B (0.64) GSK3BRAF1KDRMAPK14EPHX2
SCHEMBL13603580 0.89 DDR2 (0.59) GSK3BRAF1KDRMAPK14EPHX2
SCHEMBL5569492 0.89 GSK3B (0.62) GSK3BRAF1KDRMAPK14EPHX2
SCHEMBL14453605 0.89 GSK3B (0.83) GSK3BRAF1KDRMAPK14EPHX2
SCHEMBL14471251 0.88 GSK3B (0.56) GSK3BRAF1KDRMAPK14EPHX2
SCHEMBL5569661 0.87 GSK3B (0.60) GSK3BRAF1KDRMAPK14EPHX2
SCHEMBL13648371 0.86 RET (0.50) GSK3BRAF1KDRMAPK14EPHX2
SCHEMBL15573084 0.86 DDR2 (0.59) GSK3BRAF1KDRMAPK14EPHX2

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 8 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
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 GSK3B 352/4885RAF1 2/4885KDR 532/4885

“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.