SCHEMBL549118

SCHEMBL549118

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.65
KDR P35968 6/20 0.57
RET P07949 4/20 0.51
SRC P12931 3/20 0.51
AURKB Q96GD4 3/20 0.51
ABL1 P00519 3/20 0.51
EPHA2 P29317 3/20 0.51
MAPK14 Q16539 3/20 0.51
MAP3K20 Q9NYL2 3/20 0.51
EPHX2 P34913 3/20 0.51
PLK4 O00444 2/20 0.51
AURKA O14965 2/20 0.51
MAPK13 O15264 2/20 0.51
MAP4K4 O95819 2/20 0.51
LCK P06239 2/20 0.51
FYN P06241 2/20 0.51
LYN P07948 2/20 0.51
RPS6KB1 P23443 2/20 0.51
AXL P30530 2/20 0.51
FRK P42685 2/20 0.51

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
SCHEMBL548196 0.90 RAF1 (0.55) RAF1KDRRETSRCAURKB
SCHEMBL548126 0.89 RAF1 (0.56) RAF1KDRRETSRCAURKB
SCHEMBL29733289 0.89 RAF1 (0.67) RAF1KDRRETSRCAURKB
SCHEMBL548256 0.89 RAF1 (0.67) RAF1KDRRETSRCAURKB
SCHEMBL14481108 0.83 RAF1 (0.60) RAF1KDRRETSRCAURKB
SCHEMBL29523346 0.83 KDR (0.59) RAF1KDRRETSRCAURKB
SCHEMBL4258987 0.82 KDR (0.61) RAF1KDRRETSRCAURKB
SCHEMBL4264139 0.82 KDR (0.79) RAF1KDRRETSRCAURKB
SCHEMBL15114776 0.81 KDR (0.68) RAF1KDRRETSRCAURKB
SCHEMBL29746661 0.81 KDR (0.68) RAF1KDRRETSRCAURKB

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 20 patents. 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
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
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-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS DUMAS JACQUES (US) 2012-05-31 US disclosed
EP-1580188-B9 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-23 EP disclosed
US-8110587-B2 Antiinflammatory agents; anticancer agents; osteoporosis BAYER HEALTHCARE LLC (US) 2012-02-07 US disclosed
EP-1580188-B1 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2011-10-19 EP 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 (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-20030216446-A1 Aryl ureas as kinase inhibitors MAPK1, MAP3K1, MAP3K6 RAF1 47/4885KDR 40/4885RET 107/4885
US-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 RAF1 47/4885KDR 40/4885RET 107/4885

“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.