SCHEMBL545322

SCHEMBL545322

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2cccc(-c4ccc(F)cc4)c2)CC3)ccn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.49
RAF1 P04049 8/20 0.49
HDAC8 Q9BY41 2/20 0.45
KDR P35968 4/20 0.45
HIPK4 Q8NE63 4/20 0.44
RIPK1 Q13546 1/20 0.43
MET P08581 1/20 0.43
FLT3 P36888 1/20 0.43
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
RET P07949 1/20 0.42
EPHA2 P29317 1/20 0.42
MAPK14 Q16539 1/20 0.42
DDR2 Q16832 1/20 0.42

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
SCHEMBL545993 0.91 BRAF (0.51) BRAFRAF1HDAC8KDREGFR
SCHEMBL545630 0.90 BRAF (0.53) BRAFRAF1HDAC8KDRHIPK4
SCHEMBL545462 0.89 BRAF (0.52) BRAFRAF1KDRHIPK4RIPK1
SCHEMBL546195 0.89 BRAF (0.47) BRAFRAF1HDAC8KDREGFR
SCHEMBL546701 0.88 BRAF (0.51) BRAFRAF1HDAC8KDRRIPK1
SCHEMBL546051 0.87 BRAF (0.50) BRAFRAF1KDREGFRLCK
SCHEMBL545647 0.87 BRAF (0.51) BRAFRAF1KDRHIPK4EGFR
SCHEMBL545864 0.87 NPC1 (0.53) BRAFRAF1HDAC8KDRRIPK1
SCHEMBL546431 0.87 BRAF (0.53) BRAFRAF1KDREGFRLCK
SCHEMBL545254 0.86 BRAF (0.49) BRAFRAF1KDRMETFLT3

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 198/4885HDAC8 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.