SCHEMBL545500

SCHEMBL545500

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(Cl)c(Cl)c2)CC3)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.57
RAF1 P04049 10/20 0.57
HDAC8 Q9BY41 1/20 0.44
KDR P35968 4/20 0.44
MAPK14 Q16539 3/20 0.44
EGFR P00533 2/20 0.44
LCK P06239 2/20 0.44
RET P07949 2/20 0.44
EPHA2 P29317 2/20 0.44
DDR2 Q16832 2/20 0.44
MEN1 O00255 1/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 1/20 0.44
AURKA O14965 1/20 0.44
MUSK O15146 1/20 0.44
EPHB6 O15197 1/20 0.44
MAPK13 O15264 1/20 0.44
MLNR O43193 1/20 0.44
MAP3K7 O43318 1/20 0.44
RIPK2 O43353 1/20 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
SCHEMBL545137 0.93 BRAF (0.56) BRAFRAF1HDAC8KDRMAPK14
SCHEMBL545413 0.92 BRAF (0.55) BRAFRAF1HDAC8KDRMAPK14
SCHEMBL546622 0.92 BRAF (0.55) BRAFRAF1KDRMAPK14EGFR
SCHEMBL545180 0.92 BRAF (0.52) BRAFRAF1HDAC8KDRMAPK14
SCHEMBL546103 0.91 BRAF (0.55) BRAFRAF1KDRMAPK14EGFR
SCHEMBL545806 0.90 BRAF (0.69) BRAFRAF1KDRMAPK14EGFR
SCHEMBL546588 0.90 BRAF (0.53) BRAFRAF1KDRMAPK14EGFR
SCHEMBL546054 0.89 BRAF (0.55) BRAFRAF1KDRMAPK14EGFR
SCHEMBL545444 0.89 BRAF (0.50) BRAFRAF1HDAC8KDRMAPK14
SCHEMBL546005 0.88 BRAF (0.53) BRAFRAF1KDRMAPK14EGFR

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 215/4885RAF1 198/4885HDAC8 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.