SCHEMBL4590789

SCHEMBL4590789

C=CC(=O)Nc1ccc2ncn(-c3cccc(Br)n3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.61
BTK Q06187 6/20 0.61
FYN P06241 6/20 0.61
SRC P12931 6/20 0.61
STK16 O75716 1/20 0.61
FLT1 P17948 1/20 0.61
KDR P35968 1/20 0.61
JAK2 O60674 1/20 0.58
TGM2 P21980 1/20 0.45
EGFR P00533 7/20 0.44
ERBB2 P04626 2/20 0.44
BLK P51451 1/20 0.44
BMX P51813 1/20 0.44
ERBB4 Q15303 1/20 0.44
MAP3K14 Q99558 1/20 0.43

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
SCHEMBL1678919 0.77 BTK (0.71) JAK3BTKFYNSRCSTK16
SCHEMBL1679578 0.76 BTK (0.75) JAK3BTKFYNSRCSTK16
SCHEMBL1679374 0.76 JAK3 (0.58) JAK3BTKFYNSRCSTK16
SCHEMBL1679413 0.76 JAK3 (0.80) JAK3BTKFYNSRCSTK16
SCHEMBL1678616 0.76 BTK (1.00) JAK3BTKFYNSRCSTK16
SCHEMBL12736101 0.76 BTK (0.60) JAK3BTKFYNSRCSTK16
SCHEMBL14078367 0.75 BTK (0.60) JAK3BTKFYNSRCSTK16
SCHEMBL1678594 0.75 JAK3 (0.67) JAK3BTKFYNSRCSTK16
SCHEMBL1678840 0.75 JAK3 (0.70) JAK3BTKFYNSRCSTK16
SCHEMBL12735952 0.75 BTK (0.67) JAK3BTKFYNSRCSTK16

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 9 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
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 47/4885BTK 7/4885FYN 38/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK JAK3 47/4885BTK 7/4885FYN 38/4885

“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.