SCHEMBL2861920

SCHEMBL2861920

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.60
BRAF P15056 5/20 0.55
KIT P10721 3/20 0.55
PDGFRA P16234 2/20 0.55
MAPK13 O15264 2/20 0.55
MAPK12 P53778 2/20 0.55
MAPK11 Q15759 2/20 0.55
MAPK14 Q16539 2/20 0.55
LYN P07948 1/20 0.55
EPHB4 P54760 1/20 0.55
EPHA4 P54764 1/20 0.55
PDGFRB P09619 2/20 0.54
FLT1 P17948 2/20 0.54
TEK Q02763 2/20 0.54
FGFR1 P11362 1/20 0.54
FGFR3 P22607 1/20 0.54
AURKA O14965 1/20 0.50
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48

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 0.92 KDR (0.61) KDRBRAFKITPDGFRAMAPK13
SCHEMBL2853577 0.89 KDR (0.49) KDRBRAFKITPDGFRAMAPK13
SCHEMBL2861447 0.89 KDR (0.67) KDRBRAFKITPDGFRAMAPK13
SCHEMBL2862560 0.86 KDR (0.56) KDRBRAFKITPDGFRAMAPK13
SCHEMBL2860490 0.83 KDR (0.47) KDRBRAFKITPDGFRAMAPK13
SCHEMBL4282404 0.80 KDR (0.77) KDRBRAFKITPDGFRAPDGFRB
SCHEMBL13639070 0.79 BRAF (0.47) KDRBRAFKITPDGFRAMAPK13
SCHEMBL2851402 0.79 KDR (0.64) KDRBRAFKITPDGFRAMAPK14
SCHEMBL2516131 0.78 KDR (0.81) KDRBRAFKITPDGFRAPDGFRB
SCHEMBL2859294 0.77 KDR (0.62) 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 13 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-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
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.