SCHEMBL1679323

SCHEMBL1679323

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.53
JAK3 P52333 3/20 0.53
FYN P06241 2/20 0.53
FLT1 P17948 2/20 0.53
KDR P35968 2/20 0.53
STK16 O75716 1/20 0.53
SRC P12931 1/20 0.53
JAK2 O60674 2/20 0.49
LCK P06239 4/20 0.38
EGFR P00533 3/20 0.37
ERBB2 P04626 2/20 0.37
ERBB4 Q15303 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37

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
SCHEMBL12807637 0.88 BTK (0.57) BTKJAK3FYNFLT1KDR
SCHEMBL12807470 0.86 BTK (0.71) BTKJAK3FYNFLT1KDR
SCHEMBL1679542 0.86 BTK (0.73) BTKJAK3FYNFLT1KDR
SCHEMBL1678826 0.85 JAK3 (0.52) BTKJAK3FYNFLT1KDR
SCHEMBL1679418 0.82 JAK3 (0.72) BTKJAK3FYNFLT1KDR
SCHEMBL12807503 0.78 JAK3 (0.48) BTKJAK3FYNFLT1KDR
SCHEMBL1678903 0.76 JAK3 (0.48) BTKJAK3FYNFLT1KDR
SCHEMBL1679406 0.75 JAK3 (0.65) BTKJAK3FYNFLT1KDR
SCHEMBL12807472 0.74 JAK3 (0.61) BTKJAK3FYNFLT1KDR
SCHEMBL12807541 0.74 BTK (0.77) BTKJAK3FYNFLT1KDR

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-20140124753-A1 ORGANIC LIGHT-EMITTING DIODE SAMSUNG DISPLAY CO., LTD. (KR) 2014-05-08 US disclosed
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 47/4885FYN 38/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK BTK 7/4885JAK3 47/4885FYN 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.