SCHEMBL545430

SCHEMBL545430

CC(=O)Nc1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cccc(C(C)(C)C)c2)OC3)ccn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.54
KDR P35968 8/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
PDGFRB P09619 1/20 0.54
KIT P10721 1/20 0.54
SRC P12931 1/20 0.54
FLT1 P17948 1/20 0.54
FLT4 P35916 1/20 0.54
RAF1 P04049 3/20 0.49
MAPK14 Q16539 2/20 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
SCHEMBL545905 0.87 BRAF (0.55) BRAFKDRLCKFYNPDGFRB
SCHEMBL544984 0.85 BRAF (0.43) BRAFKDRLCKFYNPDGFRB
SCHEMBL545590 0.85 BRAF (0.55) BRAFKDRLCKFYNPDGFRB
SCHEMBL545693 0.84 BRAF (0.68) BRAFKDRLCKFYNPDGFRB
SCHEMBL545894 0.82 BRAF (0.58) BRAFKDRLCKFYNPDGFRB
SCHEMBL5424365 0.81 RAF1 (0.45) BRAFKDRLCKFYNPDGFRB
SCHEMBL10267992 0.80 BRAF (0.46) BRAFKDRRAF1MAPK14
SCHEMBL545996 0.78 BRAF (0.60) BRAFKDRRAF1
SCHEMBL545974 0.77 BRAF (0.76) BRAFKDRRAF1
SCHEMBL545407 0.77 BRAF (0.58) BRAFKDRRAF1

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 2 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-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 215/4885KDR 1264/4885LCK 101/4885

“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.