SCHEMBL1679413

SCHEMBL1679413

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.80
JAK2 O60674 2/20 0.80
BTK Q06187 8/20 0.77
FYN P06241 4/20 0.77
SRC P12931 3/20 0.77
FLT1 P17948 2/20 0.77
KDR P35968 2/20 0.77
STK16 O75716 1/20 0.77
EGFR P00533 2/20 0.44
MAP2K7 O14733 2/20 0.43
MAP3K14 Q99558 1/20 0.41
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL14095914 0.90 JAK3 (0.78) JAK3JAK2BTKFYNSRC
SCHEMBL1679267 0.89 JAK3 (0.76) JAK3JAK2BTKFYNSRC
SCHEMBL4589805 0.89 JAK3 (1.00) JAK3JAK2BTKFYNSRC
SCHEMBL1679647 0.89 JAK3 (0.76) JAK3JAK2BTKFYNSRC
SCHEMBL12807466 0.88 BTK (0.84) JAK3JAK2BTKFYNSRC
SCHEMBL1678616 0.87 BTK (1.00) JAK3JAK2BTKFYNSRC
SCHEMBL1679535 0.86 JAK3 (0.71) JAK3JAK2BTKFYNSRC
SCHEMBL12807541 0.86 BTK (0.77) JAK3JAK2BTKFYNSRC
SCHEMBL1679560 0.86 JAK3 (0.71) JAK3JAK2BTKFYNSRC
SCHEMBL14078241 0.86 JAK3 (0.71) JAK3JAK2BTKFYNSRC

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 JAK3 47/4885JAK2 51/4885BTK 7/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK JAK3 47/4885JAK2 51/4885BTK 7/4885

“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.