SCHEMBL5416351

SCHEMBL5416351

NCc1ccc(NC(=O)c2ccc3ccc(Oc4ccnc(C5=NCCN5)c4)cc3c2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.45
BRAF P15056 2/20 0.45
MAPK14 Q16539 4/20 0.41
MAP3K20 Q9NYL2 3/20 0.41
MAP3K7 O43318 3/20 0.41
MAP4K2 Q12851 3/20 0.41
KDR P35968 8/20 0.40
FLT1 P17948 1/20 0.40
SRC P12931 4/20 0.40
ABL1 P00519 4/20 0.40
MAP4K4 O95819 1/20 0.38
FES P07332 1/20 0.38
LYN P07948 1/20 0.38
FER P16591 1/20 0.38
EPHA2 P29317 1/20 0.38
EPHB2 P29323 1/20 0.38
FLT3 P36888 1/20 0.38
CSK P41240 1/20 0.38
ABL2 P42684 1/20 0.38
EPHB4 P54760 1/20 0.38

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
SCHEMBL545439 0.92 MAPK14 (0.44) RAF1BRAFMAPK14MAP3K20MAP3K7
SCHEMBL5428304 0.90 RAF1 (0.44) RAF1BRAFMAPK14MAP3K20MAP3K7
SCHEMBL546229 0.89 MAPK14 (0.50) RAF1BRAFMAPK14MAP3K20MAP3K7
SCHEMBL545423 0.88 MAPK14 (0.49) RAF1BRAFMAPK14MAP3K20MAP3K7
SCHEMBL10199733 0.88 KDR (0.42) RAF1BRAFKDRFLT1
SCHEMBL10199956 0.88 RAF1 (0.49) RAF1BRAFKDRFLT1
SCHEMBL545637 0.88 KDR (0.52) RAF1BRAFMAPK14MAP3K20MAP3K7
SCHEMBL545648 0.87 ABL1 (0.58) BRAFSRCABL1
SCHEMBL545010 0.85 KDR (0.50) RAF1BRAFMAPK14MAP3K20MAP3K7
SCHEMBL546218 0.83 BRAF (0.48) RAF1BRAFMAPK14MAP3K20KDR

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 6 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-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
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO 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 198/4885BRAF 215/4885MAPK14 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.