SCHEMBL1679299

SCHEMBL1679299

CN1CCN(CC#CC(=O)Nc2ccc3ncn(-c4cncc(NC(C)(C)C)n4)c3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.61
JAK2 O60674 3/20 0.61
BTK Q06187 6/20 0.45
FYN P06241 2/20 0.45
FLT1 P17948 2/20 0.45
KDR P35968 2/20 0.45
STK16 O75716 1/20 0.45
SRC P12931 1/20 0.45
EGFR P00533 10/20 0.38
ERBB2 P04626 8/20 0.38
ERBB4 Q15303 3/20 0.36
ATM Q13315 2/20 0.36
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
LYN P07948 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34

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
SCHEMBL1679586 0.92 JAK3 (0.60) JAK3JAK2BTKFYNFLT1
SCHEMBL14234981 0.89 JAK3 (0.49) JAK3JAK2BTKFYNFLT1
SCHEMBL14078354 0.87 JAK3 (0.69) JAK3JAK2BTKFYNFLT1
SCHEMBL14078366 0.86 JAK3 (0.59) JAK3JAK2BTKFYNFLT1
SCHEMBL1678692 0.85 JAK3 (0.65) JAK3JAK2BTKFYNFLT1
SCHEMBL12807471 0.85 JAK3 (0.67) JAK3JAK2BTKFYNFLT1
SCHEMBL1679418 0.84 JAK3 (0.72) JAK3JAK2BTKFYNFLT1
SCHEMBL12807542 0.83 JAK3 (0.62) JAK3JAK2BTKFYNFLT1
SCHEMBL1678803 0.81 JAK3 (0.73) JAK3JAK2BTKFYNFLT1
SCHEMBL1679406 0.79 JAK3 (0.65) JAK3JAK2BTKFYNFLT1

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.