SCHEMBL2861447

SCHEMBL2861447

O=C(Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.67
BRAF P15056 6/20 0.67
KIT P10721 3/20 0.64
PDGFRB P09619 2/20 0.64
FLT1 P17948 2/20 0.64
AURKA O14965 1/20 0.64
PDGFRA P16234 2/20 0.53
MAPK13 O15264 1/20 0.53
LYN P07948 1/20 0.53
MAPK12 P53778 1/20 0.53
EPHB4 P54760 1/20 0.53
EPHA4 P54764 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
FGFR1 P11362 1/20 0.52
FGFR3 P22607 1/20 0.52
TEK Q02763 1/20 0.52
MET P08581 1/20 0.51
ABL1 P00519 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
SCHEMBL13636172 0.90 KDR (0.61) KDRBRAFKITPDGFRBFLT1
SCHEMBL2861920 0.89 KDR (0.60) KDRBRAFKITPDGFRBFLT1
SCHEMBL4288597 0.89 KDR (0.73) KDRBRAFKITPDGFRBFLT1
SCHEMBL4289136 0.89 KDR (0.71) KDRBRAFKITPDGFRBFLT1
SCHEMBL2859294 0.88 KDR (0.62) KDRBRAFKITPDGFRBFLT1
SCHEMBL4285559 0.88 KDR (0.68) KDRBRAFKITPDGFRBFLT1
SCHEMBL4553341 0.88 KDR (0.73) KDRBRAFKITPDGFRBFLT1
SCHEMBL4292904 0.87 KDR (0.67) KDRBRAFKITPDGFRBFLT1
SCHEMBL4289105 0.87 KDR (0.70) KDRBRAFKITPDGFRBFLT1
SCHEMBL4282397 0.87 KDR (0.67) KDRBRAFKITPDGFRBFLT1

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 16 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-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US 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
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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 983/4885BRAF 1/4885KIT 1095/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDR 2311/4885BRAF 1364/4885KIT 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.