SCHEMBL546094

SCHEMBL546094

CNC(=O)c1cc(Oc2ccc3c(c2)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC3)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.65
EPHX2 P34913 3/20 0.65
BRAF P15056 8/20 0.53
KDR P35968 5/20 0.51
SRC P12931 3/20 0.49
NFKB1 P19838 1/20 0.49
NR2C2 P49116 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TAB1 Q15750 1/20 0.49
MAPK14 Q16539 4/20 0.49
PLK4 O00444 2/20 0.49
AURKA O14965 2/20 0.49
MAPK13 O15264 2/20 0.49
MAP4K4 O95819 2/20 0.49
ABL1 P00519 2/20 0.49
LCK P06239 2/20 0.49
FYN P06241 2/20 0.49
LYN P07948 2/20 0.49
RET P07949 2/20 0.49

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
SCHEMBL5423665 0.92 KDR (0.58) RAF1EPHX2BRAFKDRSRC
SCHEMBL546095 0.89 RAF1 (0.51) RAF1EPHX2BRAFKDRSRC
SCHEMBL5420002 0.89 KDR (0.61) RAF1EPHX2BRAFKDRSRC
SCHEMBL5419991 0.89 RAF1 (0.52) RAF1EPHX2BRAFKDRNFKB1
SCHEMBL5421103 0.88 KDR (0.49) RAF1EPHX2BRAFKDRSRC
SCHEMBL546097 0.88 RAF1 (0.57) RAF1EPHX2BRAFKDRSRC
SCHEMBL5425487 0.88 RAB9A (0.54) RAF1EPHX2BRAFKDRSRC
SCHEMBL5428283 0.87 NPC1 (0.56) RAF1EPHX2BRAFKDRSRC
SCHEMBL5426028 0.87 NPC1 (0.55) RAF1EPHX2BRAFKDRSRC
SCHEMBL5428333 0.86 KDR (0.49) RAF1EPHX2BRAFKDRSRC

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 RAF1 198/4885EPHX2 2205/4885BRAF 215/4885

“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.