SCHEMBL13636181

SCHEMBL13636181

O=C(Nc1ccccc1)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.68
FLT1 P17948 4/20 0.68
AURKA O14965 3/20 0.68
PDGFRB P09619 3/20 0.68
KIT P10721 3/20 0.68
BRAF P15056 4/20 0.53
MET P08581 4/20 0.53
FLT4 P35916 1/20 0.49

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
SCHEMBL4289136 0.90 KDR (0.71) KDRFLT1AURKAPDGFRBKIT
SCHEMBL4280526 0.90 KDR (0.63) KDRFLT1AURKAPDGFRBKIT
SCHEMBL4282237 0.89 KDR (0.67) KDRFLT1AURKAPDGFRBKIT
SCHEMBL4289198 0.87 KDR (0.62) KDRFLT1AURKAPDGFRBKIT
SCHEMBL3741334 0.86 KDR (0.62) KDRFLT1AURKAPDGFRBKIT
SCHEMBL4288584 0.86 KDR (0.68) KDRFLT1AURKAPDGFRBKIT
SCHEMBL4284115 0.86 KDR (0.61) KDRFLT1AURKAPDGFRBKIT
SCHEMBL4289070 0.86 KDR (0.68) KDRFLT1AURKAPDGFRBKIT
SCHEMBL4285666 0.86 KDR (0.68) KDRFLT1AURKAPDGFRBKIT
SCHEMBL4282392 0.85 KDR (0.67) KDRFLT1AURKAPDGFRBKIT

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 4 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-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 2311/4885FLT1 2409/4885AURKA 3114/4885

“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.