SCHEMBL545191

SCHEMBL545191

CC(C)(C)c1cccc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(C5=NCCN5)c4)cc3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.52
RAF1 P04049 11/20 0.52
KDR P35968 5/20 0.44

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
SCHEMBL546193 1.00 BRAF (0.52) BRAFRAF1KDR
SCHEMBL545270 1.00 BRAF (0.52) BRAFRAF1KDR
SCHEMBL545697 0.92 BRAF (0.58) BRAFRAF1KDR
SCHEMBL545645 0.88 BRAF (0.48) BRAFRAF1KDR
SCHEMBL10263167 0.87 BRAF (0.53) BRAFRAF1KDR
SCHEMBL4848725 0.87 BRAF (0.49) BRAFRAF1KDR
SCHEMBL545970 0.87 BRAF (0.64) BRAFRAF1KDR
SCHEMBL5428121 0.86 TP53 (0.48) BRAFRAF1KDR
SCHEMBL545404 0.86 BRAF (0.49) BRAFRAF1KDR
SCHEMBL545087 0.86 BRAF (0.43) BRAFRAF1KDR

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
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US claimed
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

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 BRAF 215/4885RAF1 198/4885KDR 1264/4885

“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.