SCHEMBL13636150

SCHEMBL13636150

CC(C)(C)OC(=O)Nc1cccc(Oc2ccc3nc(N)nn3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.46
AURKA O14965 3/20 0.46
PDGFRB P09619 3/20 0.46
KIT P10721 3/20 0.46
FLT1 P17948 3/20 0.46
BRAF P15056 2/20 0.46
TTK P33981 1/20 0.41
BRD4 O60885 1/20 0.40
CDK8 P49336 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL2858588 0.85 KDR (0.50) KDRAURKAPDGFRBKITFLT1
SCHEMBL13636133 0.84 KDR (0.48) KDRAURKAPDGFRBKITFLT1
SCHEMBL13636141 0.84 KDR (0.52) KDRAURKAPDGFRBKITFLT1
SCHEMBL12507038 0.84 PIK3CG (0.51) TTKHDAC3HDAC1HDAC2HDAC8
SCHEMBL13636152 0.83 KDR (0.47) KDRAURKAPDGFRBKITFLT1
SCHEMBL13636158 0.83 KDR (0.41) KDRAURKAPDGFRBKITFLT1
SCHEMBL4290304 0.79 KDR (0.72) KDRAURKAPDGFRBKITFLT1
SCHEMBL4293320 0.79 KDR (0.50) KDRPDGFRBKITFLT1BRAF
SCHEMBL4286220 0.78 KDR (0.49) KDRAURKAPDGFRBKITFLT1
SCHEMBL2851402 0.78 KDR (0.64) KDRPDGFRBKITFLT1BRAF

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 2311/4885AURKA 3114/4885PDGFRB 3323/4885

“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.