SCHEMBL545776

SCHEMBL545776

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2cccnc2)CC3)ccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.51
BRAF P15056 12/20 0.49
RAF1 P04049 7/20 0.49
KDR P35968 4/20 0.45
HDAC8 Q9BY41 3/20 0.45
HRH3 Q9Y5N1 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
MAPK14 Q16539 1/20 0.43
DDR2 Q16832 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
SCHEMBL546283 0.88 BRAF (0.48) BRAFRAF1KDRHRH3EGFR
SCHEMBL545647 0.88 BRAF (0.51) ADRB3BRAFRAF1KDREGFR
SCHEMBL546051 0.88 BRAF (0.50) ADRB3BRAFRAF1KDREGFR
SCHEMBL545864 0.88 NPC1 (0.53) ADRB3BRAFRAF1KDRHDAC8
SCHEMBL546140 0.88 BRAF (0.50) ADRB3BRAFRAF1KDRHDAC8
SCHEMBL545353 0.88 BRAF (0.49) BRAFRAF1KDRHRH3EGFR
SCHEMBL545415 0.88 BRAF (0.54) BRAFRAF1KDRHDAC8NFKB1
SCHEMBL545254 0.87 BRAF (0.49) ADRB3BRAFRAF1KDREGFR
SCHEMBL546430 0.87 BRAF (0.52) ADRB3BRAFRAF1KDRHDAC8
SCHEMBL545993 0.87 BRAF (0.51) ADRB3BRAFRAF1KDRHDAC8

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 ADRB3 2231/4885BRAF 215/4885RAF1 198/4885

“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.