SCHEMBL545569

SCHEMBL545569

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(NS(=O)(=O)Cc4ccccc4)cc2)CC3)ccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.47
RAF1 P04049 7/20 0.47
MAPK14 Q16539 2/20 0.45
TAOK1 Q7L7X3 3/20 0.45
TAOK3 Q9H2K8 3/20 0.45
KDR P35968 2/20 0.44
HDAC8 Q9BY41 1/20 0.42
NFKB1 P19838 1/20 0.42
NR2C2 P49116 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TAB1 Q15750 1/20 0.42
KCNH2 Q12809 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL546548 0.89 TAOK1 (0.57) BRAFRAF1MAPK14TAOK1TAOK3
SCHEMBL5428112 0.89 BRAF (0.50) BRAFRAF1MAPK14TAOK1TAOK3
SCHEMBL545415 0.87 BRAF (0.54) BRAFRAF1MAPK14KDRHDAC8
SCHEMBL546140 0.86 BRAF (0.50) BRAFRAF1MAPK14TAOK1TAOK3
SCHEMBL546701 0.86 BRAF (0.51) BRAFRAF1MAPK14TAOK1TAOK3
SCHEMBL545700 0.85 BRAF (0.50) BRAFRAF1MAPK14TAOK1TAOK3
SCHEMBL546161 0.84 BRAF (0.51) BRAFRAF1MAPK14TAOK1KDR
SCHEMBL546005 0.83 BRAF (0.53) BRAFRAF1MAPK14KDRKCNH2
SCHEMBL546007 0.83 BRAF (0.51) BRAFRAF1MAPK14KDRHDAC8
SCHEMBL545680 0.83 BRAF (0.51) BRAFRAF1MAPK14KDRKCNH2

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 215/4885RAF1 198/4885MAPK14 278/4885

“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.