SCHEMBL5569036

SCHEMBL5569036

CCN(CC)CCOc1c(C(F)(F)F)ccc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.62
KDR P35968 5/20 0.62
RET P07949 4/20 0.62
BRAF P15056 4/20 0.62
EPHX2 P34913 3/20 0.62
ABL1 P00519 3/20 0.62
EPHA2 P29317 3/20 0.62
MAPK14 Q16539 3/20 0.62
MAP3K20 Q9NYL2 3/20 0.62
AURKB Q96GD4 3/20 0.62
SRC P12931 3/20 0.62
RIPK2 O43353 2/20 0.62
ABCB11 O95342 2/20 0.62
HTR1A P08908 2/20 0.62
PDGFRB P09619 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
KIT P10721 2/20 0.62
FGFR1 P11362 2/20 0.62
PDGFRA P16234 2/20 0.62
FLT1 P17948 2/20 0.62

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
SCHEMBL5564740 0.93 RET (0.63) RAF1KDRRETBRAFEPHX2
SCHEMBL5569449 0.92 RAF1 (0.63) RAF1KDRRETBRAFEPHX2
SCHEMBL5564802 0.89 RAF1 (0.65) RAF1KDRRETBRAFEPHX2
SCHEMBL5569042 0.88 RAF1 (0.62) RAF1KDRRETBRAFEPHX2
SCHEMBL14453598 0.87 GSK3B (0.78) RAF1KDRRETBRAFEPHX2
SCHEMBL5569614 0.85 RAF1 (0.60) RAF1KDRRETBRAFEPHX2
SCHEMBL5565375 0.85 RET (0.64) RAF1KDRRETBRAFEPHX2
SCHEMBL5569276 0.83 RAF1 (0.63) RAF1KDRRETBRAFEPHX2
SCHEMBL5568214 0.83 RAF1 (0.58) RAF1KDRRETBRAFEPHX2
SCHEMBL5564562 0.83 RAF1 (0.59) RAF1KDRRETBRAFEPHX2

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 7 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
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 RAF1 2/4885KDR 532/4885RET 40/4885

“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.