SCHEMBL2858588

SCHEMBL2858588

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.50
AURKA O14965 3/20 0.50
PDGFRB P09619 3/20 0.50
KIT P10721 3/20 0.50
FLT1 P17948 3/20 0.50
BRAF P15056 2/20 0.50
CDK8 P49336 5/20 0.43

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
SCHEMBL13636150 0.85 KDR (0.46) KDRAURKAPDGFRBKITFLT1
SCHEMBL4290304 0.84 KDR (0.72) KDRAURKAPDGFRBKITFLT1
SCHEMBL4286220 0.83 KDR (0.49) KDRAURKAPDGFRBKITFLT1
SCHEMBL2860043 0.82 KDR (0.52) KDRAURKAPDGFRBKITFLT1
SCHEMBL4280681 0.82 KDR (0.57) KDRAURKAPDGFRBKITFLT1
SCHEMBL2851402 0.81 KDR (0.64) KDRPDGFRBKITFLT1BRAF
SCHEMBL4285985 0.81 KDR (0.45) KDRAURKAPDGFRBKITFLT1
SCHEMBL4286488 0.81 KDR (0.51) KDRAURKAPDGFRBKITFLT1
SCHEMBL2858491 0.80 KDR (0.75) KDRAURKAPDGFRBKITFLT1
SCHEMBL12970648 0.80 PIK3CG (0.54)

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
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
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
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US 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.