SCHEMBL546701

SCHEMBL546701

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(-c4ccccc4)cc2)CC3)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.51
KDR P35968 5/20 0.51
HDAC8 Q9BY41 3/20 0.51
RAF1 P04049 8/20 0.49
HDAC6 Q9UBN7 1/20 0.46
MET P08581 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK14 Q16539 2/20 0.44
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
RIPK1 Q13546 1/20 0.43
NFKB1 P19838 1/20 0.43
NR2C2 P49116 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TAB1 Q15750 1/20 0.43
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43
RET P07949 1/20 0.43
EPHA2 P29317 1/20 0.43

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
SCHEMBL545415 0.95 BRAF (0.54) BRAFKDRHDAC8RAF1MAPK14
SCHEMBL546140 0.93 BRAF (0.50) BRAFKDRHDAC8RAF1MAPK14
SCHEMBL5428112 0.91 BRAF (0.50) BRAFKDRHDAC8RAF1MAPK14
SCHEMBL546005 0.90 BRAF (0.53) BRAFKDRRAF1MAPK14EGFR
SCHEMBL546007 0.90 BRAF (0.51) BRAFKDRHDAC8RAF1MAPK14
SCHEMBL545680 0.90 BRAF (0.51) BRAFKDRRAF1MAPK14EGFR
SCHEMBL546548 0.90 TAOK1 (0.57) BRAFKDRHDAC8RAF1MAPK14
SCHEMBL545137 0.90 BRAF (0.56) BRAFKDRHDAC8RAF1MET
SCHEMBL545864 0.90 NPC1 (0.53) BRAFKDRHDAC8RAF1RIPK1
SCHEMBL5429595 0.89 BRAF (0.51) BRAFKDRRAF1MAPK14EGFR

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 claimed
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 1264/4885HDAC8 736/4885

“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.