SCHEMBL546103

SCHEMBL546103

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.55
RAF1 P04049 10/20 0.55
MAPK14 Q16539 2/20 0.47
KDR P35968 5/20 0.47
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
P2RX3 P56373 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
RET P07949 1/20 0.44
EPHA2 P29317 1/20 0.44
DDR2 Q16832 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
SCHEMBL546054 0.93 BRAF (0.55) BRAFRAF1MAPK14KDRHRH3
SCHEMBL546005 0.92 BRAF (0.53) BRAFRAF1MAPK14KDRMTNR1A
SCHEMBL546007 0.92 BRAF (0.51) BRAFRAF1MAPK14KDRMTNR1A
SCHEMBL545680 0.92 BRAF (0.51) BRAFRAF1MAPK14KDRHRH3
SCHEMBL546760 0.91 BRAF (0.51) BRAFRAF1MAPK14KDRADRB1
SCHEMBL545500 0.91 BRAF (0.57) BRAFRAF1MAPK14KDRADRB1
SCHEMBL545630 0.91 BRAF (0.53) BRAFRAF1MAPK14KDRMTNR1A
SCHEMBL5429595 0.91 BRAF (0.51) BRAFRAF1MAPK14KDRHRH3
SCHEMBL545415 0.91 BRAF (0.54) BRAFRAF1MAPK14KDR
SCHEMBL546061 0.91 BRAF (0.51) BRAFRAF1MAPK14KDRHRH3

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 198/4885MAPK14 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.