SCHEMBL4286444

SCHEMBL4286444

CC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)c4ncccc4C)c3)cn2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.55
AURKA O14965 1/20 0.55
PDGFRB P09619 1/20 0.55
KIT P10721 1/20 0.55
BRAF P15056 1/20 0.55
FLT1 P17948 1/20 0.55
PIK3CG P48736 10/20 0.48
PIK3CA P42336 5/20 0.46
PIK3CD O00329 5/20 0.46
PIK3CB P42338 1/20 0.46

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
SCHEMBL4289940 0.91 KDR (0.55) KDRAURKAPDGFRBKITBRAF
SCHEMBL4283995 0.89 KDR (0.71) KDRAURKAPDGFRBKITBRAF
SCHEMBL4286220 0.88 KDR (0.49) KDRAURKAPDGFRBKITBRAF
SCHEMBL4289457 0.83 KDR (0.55) KDRAURKAPDGFRBKITBRAF
SCHEMBL3637354 0.79 KIT (0.48) KDRAURKAPDGFRBKITBRAF
SCHEMBL4280488 0.76 KDR (0.74) KDRAURKAPDGFRBKITBRAF
SCHEMBL4280415 0.76 KDR (0.55) KDRAURKAPDGFRBKITBRAF
SCHEMBL4291402 0.76 KDR (0.53) KDRAURKAPDGFRBKITBRAF
SCHEMBL2513802 0.76 KDR (0.75) KDRAURKAPDGFRBKITBRAF
SCHEMBL4280407 0.75 KDR (0.69) KDRAURKAPDGFRBKITBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP disclosed
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-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
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.