SCHEMBL3639615

SCHEMBL3639615

COC(=O)Nc1cn2cc(Oc3ccc(N)cc3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.56
TEK Q02763 1/20 0.56
PIK3CA P42336 8/20 0.43
AURKA O14965 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FLT1 P17948 1/20 0.41
LRRK2 Q5S007 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP3K5 Q99683 4/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4286301 0.89 KDR (0.56) KDRTEKAURKAPDGFRBKIT
SCHEMBL3642540 0.85 KDR (0.61) KDRTEKPIK3CAAURKAPDGFRB
SCHEMBL4283877 0.83 KDR (0.52) KDRTEKAURKAPDGFRBKIT
SCHEMBL1258121 0.83 KDR (0.55) KDRAURKAPDGFRBKITFLT1
SCHEMBL3150363 0.76 MAP3K5 (0.44) KDRTEKPIK3CAHPGDMAP3K5
SCHEMBL4288107 0.73 KDR (1.00) KDRTEK
SCHEMBL1258441 0.72 KDR (0.56) KDRAURKAPDGFRBKITFLT1
SCHEMBL4280812 0.71 KDR (0.62) KDRAURKAPDGFRBKITFLT1
SCHEMBL11626695 0.70 MAPK14 (0.47) KDRTEKPIK3CAHPGDSMN1; SMN2
SCHEMBL1259939 0.70 ABL1 (0.55) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US claimed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP 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
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 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 (2 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 KDR 2/4885TEK 5/4885PIK3CA 109/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDR 2311/4885TEK 4131/4885PIK3CA 4077/4885

“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.