SCHEMBL4285985

SCHEMBL4285985

Nc1nc2ccc(Oc3ccc(Cl)c(NC(=O)O)c3)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.45
AURKA O14965 2/20 0.39
PDGFRB P09619 2/20 0.39
KIT P10721 2/20 0.39
FLT1 P17948 2/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CG P48736 2/20 0.34

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
SCHEMBL4280681 0.88 KDR (0.57) KDRAURKAPDGFRBKITFLT1
SCHEMBL4286488 0.87 KDR (0.51) KDRAURKAPDGFRBKITFLT1
SCHEMBL13636158 0.86 KDR (0.41) KDRAURKAPDGFRBKITFLT1
SCHEMBL2858588 0.81 KDR (0.50) KDRAURKAPDGFRBKITFLT1
SCHEMBL4289422 0.81 KDR (0.70) KDRAURKAPDGFRBKITFLT1
SCHEMBL13636141 0.76 KDR (0.52) KDRAURKAPDGFRBKITFLT1
SCHEMBL2860043 0.75 KDR (0.52) KDRAURKAPDGFRBKITFLT1
SCHEMBL4291620 0.74 KDR (0.71) KDRAURKAPDGFRBKITFLT1
SCHEMBL13636152 0.73 KDR (0.47) KDRAURKAPDGFRBKITFLT1
SCHEMBL3637169 0.72 CDK8 (0.58)

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 3 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-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.