SCHEMBL13636152

SCHEMBL13636152

CC(C)(C)OC(=O)Nc1cc(Oc2ccc3nc(N)nn3c2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.47
PDGFRB P09619 2/20 0.47
FLT1 P17948 2/20 0.47
AURKA O14965 1/20 0.47
KIT P10721 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
BRAF P15056 1/20 0.45
TEK Q02763 3/20 0.40
TTK P33981 1/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP17A1 P05093 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL13636141 0.89 KDR (0.52) KDRPDGFRBFLT1AURKAKIT
SCHEMBL13636158 0.88 KDR (0.41) KDRPDGFRBFLT1AURKAKIT
SCHEMBL4286488 0.86 KDR (0.51) KDRPDGFRBFLT1AURKAKIT
SCHEMBL13636150 0.83 KDR (0.46) KDRPDGFRBFLT1AURKAKIT
SCHEMBL12070697 0.80 CYP17A1 (0.51) KDRTTKCYP17A1PIK3CDPIK3CA
SCHEMBL4282108 0.79 KDR (0.72) KDRPDGFRBFLT1AURKAKIT
SCHEMBL13636133 0.78 KDR (0.48) KDRPDGFRBFLT1AURKAKIT
SCHEMBL4280681 0.76 KDR (0.57) KDRPDGFRBFLT1AURKAKIT
SCHEMBL22919876 0.76 MAPK14 (0.52) KDRFLT1BRAF
SCHEMBL13636118 0.76 CDK8 (0.53) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 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 (1 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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDR 2311/4885PDGFRB 3323/4885FLT1 2409/4885

“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.