SCHEMBL1679542

SCHEMBL1679542

C=CC(=O)Nc1ccc2ncn(-c3cncc(Nc4ncccc4C)n3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.73
JAK3 P52333 5/20 0.73
STK16 O75716 1/20 0.73
FYN P06241 1/20 0.73
SRC P12931 1/20 0.73
FLT1 P17948 1/20 0.73
KDR P35968 1/20 0.73
JAK2 O60674 1/20 0.68
EGFR P00533 10/20 0.41
ITK Q08881 3/20 0.41
LCK P06239 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
TGM3 Q08188 1/20 0.39
ERBB2 P04626 1/20 0.38
MAP3K14 Q99558 1/20 0.38
PDGFRA P16234 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
SCHEMBL12807541 0.89 BTK (0.77) BTKJAK3STK16FYNSRC
SCHEMBL1679293 0.88 BTK (0.79) BTKJAK3STK16FYNSRC
SCHEMBL12807466 0.86 BTK (0.84) BTKJAK3STK16FYNSRC
SCHEMBL1679323 0.86 BTK (0.53) BTKJAK3STK16FYNSRC
SCHEMBL1679553 0.85 JAK3 (0.71) BTKJAK3STK16FYNSRC
SCHEMBL1678616 0.85 BTK (1.00) BTKJAK3STK16FYNSRC
SCHEMBL1679413 0.84 JAK3 (0.80) BTKJAK3STK16FYNSRC
SCHEMBL4590347 0.82 BTK (0.70) BTKJAK3STK16FYNSRC
SCHEMBL14095914 0.82 JAK3 (0.78) BTKJAK3STK16FYNSRC
SCHEMBL12807638 0.81 BTK (0.79) BTKJAK3STK16FYNSRC

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329737-B2 Benzimidazoles as selective kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-12-11 US disclosed
US-8329737-B2 Benzimidazoles as selective kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-12-11 US disclosed
EP-1704145-B1 SELECTIVE KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2012-06-13 EP disclosed
US-20110082142-A1 SELECTIVE KINASE INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-04-07 US disclosed
US-20110082142-A1 SELECTIVE KINASE INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-04-07 US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 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 (2 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-20110082142-A1 SELECTIVE KINASE INHIBITORS LCK, CHUK, CSK BTK 7/4885JAK3 47/4885STK16 221/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK BTK 7/4885JAK3 47/4885STK16 221/4885

“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.