SCHEMBL4280286

SCHEMBL4280286

CCOc1ncccc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.63
AURKA O14965 3/20 0.63
PDGFRB P09619 3/20 0.63
KIT P10721 3/20 0.63
FLT1 P17948 3/20 0.63
MET P08581 3/20 0.50
BRAF P15056 2/20 0.48
RXFP1 Q9HBX9 2/20 0.45
PPARG P37231 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4293701 0.92 KDR (0.65) KDRAURKAPDGFRBKITFLT1
SCHEMBL4284809 0.89 KDR (0.69) KDRAURKAPDGFRBKITFLT1
SCHEMBL4288532 0.87 KDR (0.64) KDRAURKAPDGFRBKITFLT1
SCHEMBL4280838 0.87 KDR (0.64) KDRAURKAPDGFRBKITFLT1
SCHEMBL4288582 0.87 KDR (0.64) KDRAURKAPDGFRBKITFLT1
SCHEMBL4289550 0.85 KDR (0.68) KDRAURKAPDGFRBKITFLT1
SCHEMBL4283651 0.84 KDR (0.72) KDRAURKAPDGFRBKITFLT1
SCHEMBL4289446 0.84 KDR (0.72) KDRAURKAPDGFRBKITFLT1
SCHEMBL4280407 0.84 KDR (0.69) KDRAURKAPDGFRBKITFLT1
SCHEMBL4282279 0.84 KDR (0.69) KDRAURKAPDGFRBKITFLT1

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 6 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-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

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.