SCHEMBL5086313

SCHEMBL5086313

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)ccn1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.87
BRAF P15056 7/20 0.87
KDR P35968 5/20 0.87
RET P07949 3/20 0.87
EPHX2 P34913 3/20 0.87
RIPK2 O43353 2/20 0.87
ABCB11 O95342 2/20 0.87
ABL1 P00519 2/20 0.87
HTR1A P08908 2/20 0.87
PDGFRB P09619 2/20 0.87
ADORA3 P0DMS8 2/20 0.87
KIT P10721 2/20 0.87
FGFR1 P11362 2/20 0.87
PDGFRA P16234 2/20 0.87
FLT1 P17948 2/20 0.87
MAOA P21397 2/20 0.87
EPHA1 P21709 2/20 0.87
TBXA2R P21731 2/20 0.87
EPHA2 P29317 2/20 0.87
TTK P33981 2/20 0.87

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
Regorafenib SCHEMBL29349808 0.93 RAF1 (1.00) RAF1BRAFKDRRETEPHX2
Regorafenib SCHEMBL432230 0.93 RAF1 (1.00) RAF1BRAFKDRRETEPHX2
Regorafenib SCHEMBL29351376 0.93 RAF1 (1.00) RAF1BRAFKDRRETEPHX2
SCHEMBL620651 0.93 RAF1 (0.84) RAF1BRAFKDRRETEPHX2
Sorafenib SCHEMBL8218 0.93 RAF1 (1.00) RAF1BRAFKDRRETEPHX2
Sorafenib SCHEMBL29349634 0.93 RAF1 (1.00) RAF1BRAFKDRRETEPHX2
Sorafenib SCHEMBL14739751 0.93 RAF1 (1.00) RAF1BRAFKDRRETEPHX2
Regorafenib SCHEMBL2555101 0.92 RAF1 (0.98) RAF1BRAFKDRRETEPHX2
SCHEMBL20812478 0.92 RAF1 (0.82) RAF1BRAFKDRRETEPHX2
Regorafenib SCHEMBL29496390 0.92 RAF1 (0.98) RAF1BRAFKDRRETEPHX2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636585-B2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-06-13 EP claimed
EP-1636585-B1 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORP (US) 2008-01-16 EP claimed
EP-1626714-B1 DIARYL UREAS FOR DISEASES MEDIATED BY PDGFR BAYER PHARMACEUTICALS CORP (US) 2007-07-04 EP claimed
JP-2007511203-A 2007-05-10 JP claimed
US-20070020704-A1 Diaryl ureas with kinase inhibiting activity BAYER HEALTHCARE LLC 2007-01-25 US claimed
EP-1636585-A2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY Bayer Pharmaceuticals Corporation (US) 2006-03-22 EP claimed
EP-1140840-B1 -G(V)-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2006-03-22 EP claimed
EP-1626714-A2 DIARYL UREAS FOR DISEASES MEDIATED BY PDGFR Bayer Pharmaceuticals Corporation (US) 2006-02-22 EP claimed
US-20050059703-A1 Treating, ameliorating, preventing, or modulating restenosis following angioplastic surgery, injure the vascular system; a salt of N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) urea; intravascular stent is impregnated with the compound to inhibit restenosis BAYER HEALTHCARE LLC 2005-03-17 US claimed
WO-2005000284-A2 DIARYL UREAS FOR DISEASES MEDIATED BY PDGFR BAYER PHARMACEUTICALS CORPORATION (US) 2005-01-06 WO claimed
WO-2004113274-A2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-12-29 WO claimed
US-8796250-B2 Diaryl ureas for diseases mediated by PDGFR BAYER HEALTHCARE LLC (US) 2014-08-05 US disclosed
EP-1626714-B1 DIARYL UREAS FOR DISEASES MEDIATED BY PDGFR BAYER PHARMACEUTICALS CORP (US) 2007-07-04 EP disclosed
EP-1140840-B1 -G(V)-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2006-03-22 EP disclosed
EP-1626714-A2 DIARYL UREAS FOR DISEASES MEDIATED BY PDGFR Bayer Pharmaceuticals Corporation (US) 2006-02-22 EP disclosed
US-20050059703-A1 Treating, ameliorating, preventing, or modulating restenosis following angioplastic surgery, injure the vascular system; a salt of N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) urea; intravascular stent is impregnated with the compound to inhibit restenosis BAYER HEALTHCARE LLC 2005-03-17 US disclosed
WO-2005000284-A2 DIARYL UREAS FOR DISEASES MEDIATED BY PDGFR BAYER PHARMACEUTICALS CORPORATION (US) 2005-01-06 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 (2 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-20050059703-A1 Treating, ameliorating, preventing, or modulating restenosis following angioplastic surgery, injure the vascular system; a salt of N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) urea; intravascular stent is impregnated with the compound to inhibit restenosis PDGFRB, PDGFRA, PDGFA RAF1 761/4885BRAF 1489/4885KDR 14/4885
US-20070020704-A1 Diaryl ureas with kinase inhibiting activity FLT4, FLT1, FLT3 RAF1 51/4885BRAF 31/4885KDR 44/4885

“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.