SCHEMBL5435294

SCHEMBL5435294

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.49
RAF1 P04049 6/20 0.49
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDR P35968 5/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LCK P06239 2/20 0.45
FYN P06241 2/20 0.45
PDGFRB P09619 2/20 0.45
KIT P10721 2/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL5423260 0.88 BRAF (0.51) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL545714 0.87 KDM4E (0.52) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL4643326 0.85 BRAF (0.54) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL5430598 0.85 BRAF (0.68) BRAFRAF1KDRLCKFYN
SCHEMBL5423590 0.85 BRAF (0.62) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL5426546 0.84 BRAF (0.49) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL545643 0.84 BRAF (0.54) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL544977 0.83 BRAF (0.51) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL10200809 0.83 BRAF (0.51) BRAFRAF1HDAC3HDAC8HDAC6
SCHEMBL545264 0.82 BRAF (0.51) BRAFRAF1HDAC3HDAC8HDAC6

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 6 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
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 215/4885RAF1 198/4885HDAC3 802/4885

“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.