SCHEMBL4282238

SCHEMBL4282238

N#Cc1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.64
AURKA O14965 3/20 0.64
PDGFRB P09619 3/20 0.64
KIT P10721 3/20 0.64
FLT1 P17948 3/20 0.64
BRAF P15056 4/20 0.57
GRM5 P41594 1/20 0.47
MET P08581 2/20 0.47

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
SCHEMBL4289105 0.89 KDR (0.70) KDRAURKAPDGFRBKITFLT1
SCHEMBL4289136 0.89 KDR (0.71) KDRAURKAPDGFRBKITFLT1
SCHEMBL4553341 0.88 KDR (0.73) KDRAURKAPDGFRBKITFLT1
SCHEMBL4285559 0.88 KDR (0.68) KDRAURKAPDGFRBKITFLT1
SCHEMBL4288597 0.87 KDR (0.73) KDRAURKAPDGFRBKITFLT1
SCHEMBL4282397 0.87 KDR (0.67) KDRAURKAPDGFRBKITFLT1
SCHEMBL4292904 0.87 KDR (0.67) KDRAURKAPDGFRBKITFLT1
SCHEMBL4282438 0.87 KDR (0.70) KDRAURKAPDGFRBKITFLT1
SCHEMBL2864355 0.86 KDR (0.60) KDRAURKAPDGFRBKITFLT1
SCHEMBL2859294 0.86 KDR (0.62) 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.