SCHEMBL2857640

SCHEMBL2857640

Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.66
AURKA O14965 2/20 0.64
PDGFRB P09619 2/20 0.64
KIT P10721 2/20 0.64
FLT1 P17948 2/20 0.64
BRAF P15056 2/20 0.64
FGFR1 P11362 1/20 0.56
PDGFRA P16234 1/20 0.56
JAK2 O60674 3/20 0.53
PIK3CD O00329 1/20 0.47
PIK3CG P48736 1/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
IKBKB O14920 1/20 0.47
RIPK2 O43353 1/20 0.47
LCK P06239 1/20 0.47
JAK1 P23458 1/20 0.47
SYK P43405 1/20 0.47
GSK3B P49841 1/20 0.47
PTK2B Q14289 1/20 0.47

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
SCHEMBL4283763 0.87 JAK2 (0.52) KDRAURKAPDGFRBKITFLT1
SCHEMBL2858491 0.86 KDR (0.75) KDRAURKAPDGFRBKITFLT1
SCHEMBL4282191 0.85 KDR (0.65) KDRAURKAPDGFRBKITFLT1
SCHEMBL4281880 0.85 KDR (0.76) KDRAURKAPDGFRBKITFLT1
SCHEMBL4288591 0.85 KDR (0.65) KDRAURKAPDGFRBKITFLT1
SCHEMBL4282021 0.84 KDR (0.61) KDRAURKAPDGFRBKITFLT1
SCHEMBL2853225 0.83 KDR (0.68) KDRAURKAPDGFRBKITFLT1
SCHEMBL1259730 0.83 KDR (0.58) KDRAURKAPDGFRBKITFLT1
SCHEMBL2513788 0.82 KDR (0.80) KDRAURKAPDGFRBKITFLT1
SCHEMBL3508259 0.81 KDR (0.60) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 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-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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 (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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 KDR 983/4885AURKA 1307/4885PDGFRB 1509/4885
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.