SCHEMBL5487778

SCHEMBL5487778

CNC(=O)c1cc(Oc2cccc(F)c2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.57
RET P07949 2/20 0.55
HIPK4 Q8NE63 2/20 0.55
PLK4 O00444 1/20 0.55
AURKA O14965 1/20 0.55
MAPK13 O15264 1/20 0.55
JAK2 O60674 1/20 0.55
MAP4K4 O95819 1/20 0.55
ABL1 P00519 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
LYN P07948 1/20 0.55
ROS1 P08922 1/20 0.55
SRC P12931 1/20 0.55
RPS6KB1 P23443 1/20 0.55
EPHA2 P29317 1/20 0.55
TYK2 P29597 1/20 0.55
AXL P30530 1/20 0.55
FRK P42685 1/20 0.55
SYK P43405 1/20 0.55

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
SCHEMBL14527325 0.89 NPC1 (0.58) KDRRETHIPK4PLK4AURKA
SCHEMBL18681347 0.86 BRAF (0.70) KDRRETHIPK4PLK4AURKA
SCHEMBL167783 0.85 KDR (0.58) KDRRETHIPK4PLK4AURKA
SCHEMBL14527286 0.85 KDR (0.60) KDRRETHIPK4PLK4AURKA
SCHEMBL19888709 0.84 KDR (0.76) KDRRETHIPK4PLK4AURKA
SCHEMBL3991905 0.84 KDR (0.57) KDRRETHIPK4PLK4AURKA
SCHEMBL177723 0.84 KDR (0.57) KDRRETHIPK4PLK4AURKA
SCHEMBL14527329 0.83 KDR (0.56) KDRRETHIPK4PLK4AURKA
SCHEMBL26922854 0.83 KDR (0.63) KDRRETHIPK4PLK4AURKA
SCHEMBL29834816 0.83 KDR (0.63) KDRRETHIPK4PLK4AURKA

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
CN-112851577-A Preparation method of regorafenib 齐鲁制药有限公司 2021-05-28 CN disclosed
US-8637553-B2 Fluoro substituted omega-carboxyaryl diphenyl urea for the treatment and prevention of diseases and conditions BAYER HEALTHCARE LLC (US) 2014-01-28 US disclosed
US-20130131122-A1 Fluro substituted Omega-Carboxyaryl Diphenyl Urea for the Treatment and Prevention of Diseases and Conditions BAYER HEALTHCARE LLC (US) 2013-05-23 US disclosed
EP-1663978-B1 FLUORO SUBSTITUTED OMEGA-CARBOXYARYL DIPHENYL UREA FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS BAYER PHARMACEUTICALS CORP (US) 2007-11-28 EP disclosed
EP-1663978-A2 FLUORO SUBSTITUTED OMEGA-CARBOXYARYL DIPHENYL UREA FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-06-07 EP disclosed
US-20050038080-A1 Fluoro substituted omega-carboxyaryl diphenyl urea for the treatment and prevention of diseases and conditions BAYER HEALTHCARE LLC 2005-02-17 US disclosed
WO-2005009961-A2 FLUORO SUBSTITUTED OMEGA-CARBOXYARYL DIPHENYL UREA FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-03 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-20130131122-A1 Fluro substituted Omega-Carboxyaryl Diphenyl Urea for the Treatment and Prevention of Diseases and Conditions FLT1, FLT4, PDGFRA KDR 8/4885RET 139/4885HIPK4 4013/4885
US-20050038080-A1 Fluoro substituted omega-carboxyaryl diphenyl urea for the treatment and prevention of diseases and conditions FLT4, FLT1, PDGFRB KDR 5/4885RET 181/4885HIPK4 3651/4885

“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.