SCHEMBL4288949

SCHEMBL4288949

CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)c5cocn5)nn4c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.45
KDR P35968 11/20 0.45
PDGFRB P09619 2/20 0.45
KIT P10721 2/20 0.45
FLT1 P17948 2/20 0.45
AURKA O14965 1/20 0.45
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FGFR3 P22607 1/20 0.42
TEK Q02763 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4285608 0.90 KDR (0.46) BRAFKDRCYP2C9
SCHEMBL4288113 0.85 BRAF (0.49) BRAFKDRPDGFRBKITFLT1
SCHEMBL2852176 0.84 KDR (0.64) BRAFKDRPDGFRBKITFLT1
SCHEMBL4293320 0.83 KDR (0.50) BRAFKDRPDGFRBKITFLT1
SCHEMBL4293031 0.81 BRAF (0.48) BRAFKDRPDGFRBKITFLT1
SCHEMBL13639020 0.81 BRAF (0.45) BRAFKDRPDGFRBKITFLT1
SCHEMBL4288871 0.80 KDR (0.47) BRAFKDRCYP2C9
SCHEMBL4288073 0.79 KDR (0.67) BRAFKDRPDGFRBKITFLT1
SCHEMBL4294674 0.78 KDR (0.46) BRAFKDRCYP2C9
SCHEMBL4291675 0.77 BRAF (0.56) BRAFKDRCYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP 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-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 (1 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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX BRAF 1364/4885KDR 2311/4885PDGFRB 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.