SCHEMBL548328

SCHEMBL548328

NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.79
KDR P35968 4/20 0.65
SRC P12931 3/20 0.61
PLK4 O00444 2/20 0.61
AURKA O14965 2/20 0.61
MAPK13 O15264 2/20 0.61
MAP4K4 O95819 2/20 0.61
ABL1 P00519 2/20 0.61
LCK P06239 2/20 0.61
FYN P06241 2/20 0.61
LYN P07948 2/20 0.61
RET P07949 2/20 0.61
RPS6KB1 P23443 2/20 0.61
EPHA2 P29317 2/20 0.61
AXL P30530 2/20 0.61
FRK P42685 2/20 0.61
MAPK9 P45984 2/20 0.61
BLK P51451 2/20 0.61
CAMK2B Q13554 2/20 0.61
NTRK3 Q16288 2/20 0.61

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
SCHEMBL549001 0.88 RAF1 (1.00) RAF1KDRSRCPLK4AURKA
SCHEMBL548133 0.88 RAF1 (1.00) RAF1KDRSRCPLK4AURKA
SCHEMBL29918250 0.88 RAF1 (1.00) RAF1KDRSRCPLK4AURKA
SCHEMBL940018 0.86 RAF1 (1.00) RAF1KDRSRCPLK4AURKA
SCHEMBL2478377 0.86 RAF1 (0.86) RAF1KDRSRCPLK4AURKA
SCHEMBL2507080 0.85 RAF1 (0.75) RAF1KDRSRCPLK4AURKA
SCHEMBL3181311 0.85 RAF1 (0.70) RAF1KDRSRCPLK4AURKA
SCHEMBL13528819 0.82 KDR (0.78) RAF1KDRSRCPLK4AURKA
SCHEMBL13946049 0.81 RAF1 (0.71) RAF1KDRSRCPLK4AURKA
SCHEMBL1506420 0.81 RAF1 (0.86) RAF1KDRSRCPLK4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 40/4885SRC 256/4885
US-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 RAF1 47/4885KDR 40/4885SRC 256/4885

“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.