SCHEMBL545264

SCHEMBL545264

CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)CCl)c4)cc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.51
LCK P06239 2/20 0.50
FYN P06241 2/20 0.50
PDGFRB P09619 2/20 0.50
KIT P10721 2/20 0.50
FLT1 P17948 2/20 0.50
FLT4 P35916 2/20 0.50
KDR P35968 2/20 0.50
SRC P12931 1/20 0.50
RAF1 P04049 6/20 0.46
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
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
SCHEMBL5432107 0.90 BRAF (0.49) BRAFLCKFYNPDGFRBKIT
SCHEMBL4643326 0.89 BRAF (0.54) BRAFLCKFYNPDGFRBKIT
SCHEMBL5423590 0.89 BRAF (0.62) BRAFLCKFYNPDGFRBKIT
SCHEMBL545525 0.87 BRAF (0.48) BRAFLCKFYNPDGFRBKIT
SCHEMBL10200809 0.87 BRAF (0.51) BRAFLCKFYNPDGFRBKIT
SCHEMBL544977 0.87 BRAF (0.51) BRAFLCKFYNPDGFRBKIT
SCHEMBL5418775 0.86 BRAF (0.52) BRAFLCKFYNPDGFRBKIT
SCHEMBL545450 0.84 BRAF (0.50) BRAFLCKFYNPDGFRBKIT
SCHEMBL545714 0.84 KDM4E (0.52) BRAFLCKFYNPDGFRBKIT
SCHEMBL5426546 0.83 BRAF (0.49) BRAFLCKFYNPDGFRBKIT

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 7 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-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
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO 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 215/4885LCK 101/4885FYN 321/4885

“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.