SCHEMBL545905

SCHEMBL545905

CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cccc(C(C)(C)C)c2)OC3)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.55
RAF1 P04049 12/20 0.55
KDR P35968 4/20 0.54
LCK P06239 2/20 0.54
FYN P06241 2/20 0.54
RET P07949 2/20 0.54
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
MAPK13 O15264 1/20 0.54
JAK2 O60674 1/20 0.54
MAP4K4 O95819 1/20 0.54
ABL1 P00519 1/20 0.54
LYN P07948 1/20 0.54
ROS1 P08922 1/20 0.54
SRC P12931 1/20 0.54
RPS6KB1 P23443 1/20 0.54
EPHA2 P29317 1/20 0.54
TYK2 P29597 1/20 0.54
AXL P30530 1/20 0.54
FRK P42685 1/20 0.54

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
SCHEMBL545430 0.87 BRAF (0.54) BRAFRAF1KDRLCKFYN
SCHEMBL545977 0.85 BRAF (0.55) BRAFRAF1KDRLCKFYN
SCHEMBL546600 0.85 BRAF (0.69) BRAFRAF1KDRLCKFYN
SCHEMBL544984 0.83 BRAF (0.43) BRAFRAF1KDRLCKFYN
SCHEMBL545934 0.82 RAF1 (0.75) BRAFRAF1KDRLCKFYN
SCHEMBL5424365 0.81 RAF1 (0.45) BRAFRAF1KDRLCKFYN
SCHEMBL545030 0.77 BRAF (0.55) BRAFRAF1KDRLCKFYN
SCHEMBL545608 0.77 BRAF (0.60) BRAFRAF1KDR
SCHEMBL5430598 0.75 BRAF (0.68) BRAFRAF1KDRLCKFYN
SCHEMBL546373 0.75 BRAF (0.57) BRAFRAF1KDR

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 198/4885KDR 1264/4885

“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.