SCHEMBL545439

SCHEMBL545439

CN(C)Cc1ccc(NC(=O)c2ccc3ccc(Oc4ccnc(C5=NCCN5)c4)cc3c2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.44
MAP3K20 Q9NYL2 3/20 0.44
MAP3K7 O43318 3/20 0.44
MAP4K2 Q12851 3/20 0.44
RAF1 P04049 5/20 0.43
BRAF P15056 3/20 0.43
ABL1 P00519 4/20 0.41
SRC P12931 3/20 0.41
MAP4K4 O95819 1/20 0.41
FES P07332 1/20 0.41
LYN P07948 1/20 0.41
FER P16591 1/20 0.41
EPHA2 P29317 1/20 0.41
EPHB2 P29323 1/20 0.41
FLT3 P36888 1/20 0.41
CSK P41240 1/20 0.41
ABL2 P42684 1/20 0.41
EPHB4 P54760 1/20 0.41
KDR P35968 6/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL5416351 0.92 RAF1 (0.45) MAPK14MAP3K20MAP3K7MAP4K2RAF1
SCHEMBL546229 0.88 MAPK14 (0.50) MAPK14MAP3K20MAP3K7MAP4K2RAF1
SCHEMBL545648 0.88 ABL1 (0.58) BRAFABL1SRCEGFR
SCHEMBL545423 0.88 MAPK14 (0.49) MAPK14MAP3K20MAP3K7MAP4K2RAF1
SCHEMBL10199956 0.88 RAF1 (0.49) RAF1BRAFKDRFLT1
SCHEMBL545637 0.88 KDR (0.52) MAPK14MAP3K20MAP3K7RAF1BRAF
SCHEMBL10199733 0.88 KDR (0.42) RAF1BRAFKDRFLT1
SCHEMBL546349 0.85 ABL1 (0.45) MAPK14MAP3K20MAP3K7MAP4K2RAF1
SCHEMBL545010 0.84 KDR (0.50) MAPK14MAP3K20MAP3K7RAF1BRAF
SCHEMBL545887 0.83 KDR (0.51) MAPK14MAP3K20RAF1BRAFABL1

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 7 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-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 MAPK14 278/4885MAP3K20 1/4885MAP3K7 4/4885

“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.