SCHEMBL4289487

SCHEMBL4289487

O=C(Nc1cn2cc(Oc3cccc(NCc4cccnc4)c3)ccc2n1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.58
AURKA O14965 1/20 0.58
PDGFRB P09619 1/20 0.58
KIT P10721 1/20 0.58
FLT1 P17948 1/20 0.58
ABL1 P00519 1/20 0.49
KMT2A Q03164 1/20 0.47
JAK1 P23458 1/20 0.46
JAK2 O60674 1/20 0.46
BRAF P15056 1/20 0.43
TYK2 P29597 1/20 0.43
LRRK2 Q5S007 1/20 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
SCHEMBL4289198 0.91 KDR (0.62) KDRAURKAPDGFRBKITFLT1
SCHEMBL4291424 0.89 KDR (0.59) KDRAURKAPDGFRBKITFLT1
SCHEMBL4283837 0.87 KDR (0.62) KDRAURKAPDGFRBKITFLT1
SCHEMBL4280526 0.86 KDR (0.63) KDRAURKAPDGFRBKITFLT1
SCHEMBL4284100 0.85 KDR (0.66) KDRAURKAPDGFRBKITFLT1
SCHEMBL4293248 0.84 KDR (0.59) KDRAURKAPDGFRBKITFLT1
SCHEMBL4283904 0.84 KDR (0.60) KDRAURKAPDGFRBKITFLT1
SCHEMBL4293003 0.83 KDR (0.58) KDRAURKAPDGFRBKITFLT1
SCHEMBL4280434 0.81 KDR (0.62) KDRAURKAPDGFRBKITFLT1
SCHEMBL4284851 0.81 KDR (0.65) 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 7 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

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.