SCHEMBL4293702

SCHEMBL4293702

Cn1cncc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)c1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.77
PDGFRB P09619 5/20 0.77
KIT P10721 5/20 0.77
FLT1 P17948 5/20 0.77
AURKA O14965 4/20 0.58
BRAF P15056 7/20 0.50
RIPK1 Q13546 1/20 0.45
RIPK3 Q9Y572 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
SCHEMBL3671088 0.87 KDR (1.00) KDRPDGFRBKITFLT1AURKA
SCHEMBL4284219 0.84 KDR (0.70) KDRPDGFRBKITFLT1AURKA
SCHEMBL2859622 0.83 KDR (0.72) KDRPDGFRBKITFLT1AURKA
SCHEMBL4285542 0.80 KDR (0.69) KDRPDGFRBKITFLT1AURKA
SCHEMBL2853887 0.78 KDR (0.64) KDRPDGFRBKITFLT1BRAF
SCHEMBL2853616 0.77 KDR (0.64) KDRPDGFRBKITFLT1AURKA
SCHEMBL2860515 0.77 KDR (0.62) KDRPDGFRBKITFLT1AURKA
SCHEMBL4286214 0.77 KDR (0.82) KDRPDGFRBKITFLT1AURKA
SCHEMBL2853808 0.77 KDR (0.74) KDRPDGFRBKITFLT1AURKA
SCHEMBL4288809 0.76 KDR (0.61) KDRPDGFRBKITFLT1AURKA

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 2311/4885PDGFRB 3323/4885KIT 2730/4885

“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.