SCHEMBL13636133

SCHEMBL13636133

Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)nn2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.48
TTK P33981 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
MAPKAPK2 P49137 3/20 0.38
MAP4K4 O95819 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
BRD4 O60885 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
AURKA O14965 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
BRAF P15056 1/20 0.34
FLT1 P17948 1/20 0.34

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
SCHEMBL2860043 0.88 KDR (0.52) KDRLMNATP53MAPTRXFP1
SCHEMBL13636141 0.84 KDR (0.52) KDRTTKAURKAPDGFRBKIT
SCHEMBL13636150 0.84 KDR (0.46) KDRTTKBRD4AURKAPDGFRB
SCHEMBL13636134 0.83 KDR (0.70) KDRTTKAURKAPDGFRBKIT
SCHEMBL12506777 0.78 TTK (0.60) TTKMAPKAPK2MAP4K4
SCHEMBL13636158 0.78 KDR (0.41) KDRTTKAURKAPDGFRBKIT
SCHEMBL13636152 0.78 KDR (0.47) KDRTTKLMNATP53RXFP1
SCHEMBL3511565 0.78 KDR (0.40) KDR
SCHEMBL13636100 0.77 CDK8 (0.51) CA12CA1CA9MAPKAPK2
SCHEMBL12507038 0.76 PIK3CG (0.51) TTKMAP4K4

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 2311/4885TTK 4305/4885CA12 271/4885

“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.