SCHEMBL545949

SCHEMBL545949

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.74
BRAF P15056 16/20 0.74

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
SCHEMBL545989 0.90 KDR (0.58) KDRBRAF
SCHEMBL546771 0.89 BRAF (0.57) KDRBRAF
SCHEMBL545174 0.87 RAF1 (0.58) KDRBRAF
SCHEMBL10263998 0.87 KDR (0.55) KDRBRAF
SCHEMBL545312 0.86 KDR (0.55) KDRBRAF
SCHEMBL10200762 0.86 KDR (0.54) KDRBRAF
SCHEMBL16907552 0.85 KDR (1.00) KDRBRAF
SCHEMBL5435203 0.85 HDAC1 (0.56) KDRBRAF
SCHEMBL545646 0.84 RAF1 (0.56) KDRBRAF
SCHEMBL545443 0.84 KDR (0.53) KDRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 KDR 1264/4885BRAF 215/4885

“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.