SCHEMBL4287982

SCHEMBL4287982

CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc(NC(=S)NC(=O)O)nc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.57
CYP2C9 P11712 5/20 0.55
KDR P35968 3/20 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
SCHEMBL4281845 0.90 BRAF (0.59) BRAFCYP2C9
SCHEMBL2855873 0.87 GAA (0.53) BRAFKDR
SCHEMBL3640217 0.86 BRAF (0.54) BRAFCYP2C9KDR
SCHEMBL2857455 0.83 BRAF (0.68) BRAFCYP2C9
SCHEMBL2853720 0.82 BRAF (0.54) BRAFCYP2C9
SCHEMBL3638529 0.80 BRAF (0.57) BRAFCYP2C9KDR
SCHEMBL2855460 0.79 CDK8 (0.45) KDR
SCHEMBL2190254 0.78 BRAF (0.57) BRAFCYP2C9KDR
SCHEMBL3643117 0.77 BRAF (0.57) BRAFCYP2C9
SCHEMBL4280855 0.77 MET (0.43)

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 BRAF 1364/4885CYP2C9 1211/4885KDR 2311/4885

“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.