SCHEMBL545984

SCHEMBL545984

CC(=O)Nc1cc(Oc2ccc3ccc(C(=O)Nc4ccc(CN5CCCC5)c(C(F)(F)F)c4)cc3c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.55
BCR P11274 3/20 0.55
MKNK1 Q9BUB5 3/20 0.55
MKNK2 Q9HBH9 3/20 0.55
MAPK14 Q16539 5/20 0.54
MAP3K20 Q9NYL2 3/20 0.54
SRC P12931 6/20 0.52
MAP3K7 O43318 4/20 0.51
MAP4K2 Q12851 4/20 0.51
NR2C2 P49116 3/20 0.49
FES P07332 2/20 0.48
FER P16591 2/20 0.48
HCK P08631 2/20 0.48
GCK P35557 2/20 0.48
MAP4K4 O95819 1/20 0.48
RAF1 P04049 1/20 0.48
LYN P07948 1/20 0.48
EPHA2 P29317 1/20 0.48
EPHB2 P29323 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL545217 0.94 ABL1 (0.62) ABL1BCRMKNK1MKNK2MAPK14
SCHEMBL14493361 0.94 ABL1 (0.54) ABL1BCRMKNK1MKNK2MAPK14
SCHEMBL544927 0.93 ABL1 (0.53) ABL1BCRMKNK1MKNK2MAPK14
SCHEMBL546218 0.87 BRAF (0.48) ABL1BCRMKNK1MKNK2MAPK14
SCHEMBL546349 0.87 ABL1 (0.45) ABL1BCRMKNK1MKNK2MAPK14
SCHEMBL546229 0.85 MAPK14 (0.50) ABL1BCRMKNK1MKNK2MAPK14
SCHEMBL546771 0.83 BRAF (0.57) ABL1MKNK1MKNK2MAPK14MAP3K20
SCHEMBL545301 0.81 KDR (0.59) BRAFKDR
SCHEMBL545648 0.81 ABL1 (0.58) ABL1SRCBRAFCDK1CDK2
SCHEMBL546280 0.81 KDR (0.53) SRCRAF1BRAFKDR

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-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

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 ABL1 37/4885BCR 539/4885MKNK1 70/4885

“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.