SCHEMBL2860490

SCHEMBL2860490

N#CC1(c2cccc(C(=O)Nc3cccc(Oc4ccc5nc(NC(=O)C(F)(F)F)cn5c4)c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.47
KIT P10721 3/20 0.47
PDGFRB P09619 2/20 0.47
FLT1 P17948 2/20 0.47
AURKA O14965 1/20 0.47
BRAF P15056 5/20 0.45
PDGFRA P16234 2/20 0.40
FGFR1 P11362 1/20 0.40
FGFR3 P22607 1/20 0.40
TEK Q02763 1/20 0.40
MAPK13 O15264 1/20 0.39
LYN P07948 1/20 0.39
MAPK12 P53778 1/20 0.39
EPHB4 P54760 1/20 0.39
EPHA4 P54764 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
LOX P28300 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38

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
SCHEMBL2864355 0.89 KDR (0.60) KDRKITPDGFRBFLT1AURKA
SCHEMBL2855325 0.86 BRAF (0.47) KDRKITPDGFRBFLT1AURKA
SCHEMBL2861920 0.83 KDR (0.60) KDRKITPDGFRBFLT1AURKA
SCHEMBL2853577 0.83 KDR (0.49) KDRKITPDGFRBFLT1AURKA
SCHEMBL3486396 0.78 KDR (0.62) KDRKITPDGFRBFLT1AURKA
SCHEMBL2520808 0.77 KDR (0.71) KDRKITPDGFRBFLT1AURKA
SCHEMBL2516157 0.76 KDR (0.61) KDRKITPDGFRBFLT1AURKA
SCHEMBL2514219 0.76 KDR (0.58) KDRKITPDGFRBFLT1AURKA
SCHEMBL2517767 0.76 KDR (0.69) KDRKITPDGFRBFLT1AURKA
SCHEMBL2523458 0.76 KDR (0.74) KDRKITPDGFRBFLT1AURKA

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 7 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-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

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 983/4885KIT 1095/4885PDGFRB 1509/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDR 2311/4885KIT 2730/4885PDGFRB 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.