SCHEMBL4293320

SCHEMBL4293320

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.50
BRAF P15056 17/20 0.49
CYP2C9 P11712 2/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
TEK Q02763 1/20 0.46

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
SCHEMBL4282178 0.89 BRAF (0.52) KDRBRAFCYP2C9
SCHEMBL2851402 0.87 KDR (0.64) KDRBRAFPDGFRBKITFGFR1
SCHEMBL4288113 0.86 BRAF (0.49) KDRBRAFCYP2C9PDGFRBKIT
SCHEMBL2858585 0.86 BRAF (0.51) KDRBRAFCYP2C9
SCHEMBL2852176 0.85 KDR (0.64) KDRBRAFPDGFRBKITFLT1
SCHEMBL4288949 0.83 BRAF (0.45) KDRBRAFCYP2C9PDGFRBKIT
SCHEMBL4032347 0.82 KDR (0.57) KDRBRAFPDGFRBKITFGFR1
SCHEMBL4293031 0.82 BRAF (0.48) KDRBRAFPDGFRBKITFLT1
SCHEMBL13639020 0.82 BRAF (0.45) KDRBRAFCYP2C9PDGFRBKIT
SCHEMBL2190254 0.82 BRAF (0.57) KDRBRAFCYP2C9

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 3 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-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 (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 KDR 2311/4885BRAF 1364/4885CYP2C9 1211/4885

“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.