SCHEMBL548163

SCHEMBL548163

NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n+]1[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.64
CDK8 P49336 4/20 0.59
KDR P35968 7/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
BRAF P15056 3/20 0.55
MEN1 O00255 1/20 0.55
PLK4 O00444 1/20 0.55
CIT O14578 1/20 0.55
AURKA O14965 1/20 0.55
MUSK O15146 1/20 0.55
EPHB6 O15197 1/20 0.55
MAPK13 O15264 1/20 0.55
MLNR O43193 1/20 0.55
MAP3K7 O43318 1/20 0.55
RIPK2 O43353 1/20 0.55
DYRK3 O43781 1/20 0.55
PDE6D O43924 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
SCHEMBL15114775 0.91 KDR (0.58) RAF1CDK8KDRCA7CA9
SCHEMBL29746649 0.91 KDR (0.58) RAF1CDK8KDRCA7CA9
SCHEMBL29733289 0.90 RAF1 (0.67) RAF1CDK8KDRCA7CA9
SCHEMBL548256 0.90 RAF1 (0.67) RAF1CDK8KDRCA7CA9
SCHEMBL14481108 0.89 RAF1 (0.60) RAF1CDK8KDRCA7CA9
SCHEMBL548196 0.88 RAF1 (0.55) RAF1CDK8KDRCA7CA9
SCHEMBL14680565 0.88 RAF1 (0.56) RAF1CDK8KDRCA7CA9
SCHEMBL549150 0.87 RAF1 (0.56) RAF1CDK8KDRCA7CA9
SCHEMBL3407832 0.85 KDR (0.65) RAF1CDK8KDRCA7CA9
SCHEMBL14680381 0.85 RAF1 (0.54) RAF1CDK8KDRCA7CA9

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181188-B2 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2015-11-10 US claimed
US-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS DUMAS JACQUES (US) 2012-05-31 US claimed
EP-1580188-B9 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-23 EP claimed
US-8110587-B2 Antiinflammatory agents; anticancer agents; osteoporosis BAYER HEALTHCARE LLC (US) 2012-02-07 US claimed
US-20110257035-A1 IDENTIFICATION OF SIGNATURE GENES ASSOCIATED WITH HEPATOCELLULAR CARCINOMA BAYER HEALTHCARE LLC (US) 2011-10-20 US claimed
EP-1580188-B1 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2011-10-19 EP claimed
JP-4527401-B2 2010-08-18 JP claimed
US-20070178494-A1 Methods for prediction and prognosis of cancer, and monitoring cancer therapy BAYER HEALTHCARE LLC 2007-08-02 US claimed
EP-1580188-A1 Aryl ureas as kinase inhibitors Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP claimed
JP-2005523278-A 2005-08-04 JP claimed
EP-1474393-A1 ARYL UREAS AS KINASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-11-10 EP claimed
US-20030216446-A1 Aryl ureas as kinase inhibitors BAYER CORPORATION (US) 2003-11-20 US claimed
WO-2003068746-A1 ARYL UREAS AS KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-08-21 WO claimed
US-9181188-B2 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2015-11-10 US disclosed
US-9181188-B2 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2015-11-10 US disclosed
US-20130012550-A1 METHODS FOR PROGNOSIS AND MONITORING CANCER THERAPY BAYER HEALTHCARE LLC (US) 2013-01-10 US disclosed
EP-1580188-A1 Aryl ureas as kinase inhibitors Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP disclosed
EP-1474393-A1 ARYL UREAS AS KINASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-11-10 EP disclosed
US-20030216446-A1 Aryl ureas as kinase inhibitors BAYER CORPORATION (US) 2003-11-20 US disclosed
WO-2003068746-A1 ARYL UREAS AS KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-08-21 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 (3 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-20030216446-A1 Aryl ureas as kinase inhibitors MAPK1, MAP3K1, MAP3K6 RAF1 47/4885CDK8 158/4885KDR 40/4885
US-20130012550-A1 METHODS FOR PROGNOSIS AND MONITORING CANCER THERAPY PLAUR, SERPINE1, PLAT RAF1 79/4885CDK8 2006/4885KDR 23/4885
US-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 RAF1 47/4885CDK8 158/4885KDR 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.