SCHEMBL3145252

SCHEMBL3145252

C[C@H](Nc1cncc(-n2cnc3cc(C(=O)NCCN(C)C)ccc32)n1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.53
JAK3 P52333 5/20 0.53
AURKA O14965 2/20 0.52
AURKB Q96GD4 2/20 0.52
HPGD P15428 3/20 0.45
TP53 P04637 2/20 0.45
EGFR P00533 4/20 0.45
LCK P06239 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL3148163 0.91 AURKA (0.54) JAK2JAK3AURKAAURKBHPGD
SCHEMBL13666766 0.91 AURKA (0.54) JAK2JAK3AURKAAURKBHPGD
SCHEMBL6047162 0.88 AURKA (0.54) JAK2JAK3AURKAAURKBTP53
SCHEMBL3148261 0.88 AURKA (0.54) JAK2JAK3AURKAAURKBTP53
SCHEMBL13478839 0.87 AURKA (0.50) JAK2JAK3AURKAAURKBHPGD
SCHEMBL3139905 0.86 AURKA (0.59) JAK2JAK3AURKAAURKBLCK
SCHEMBL3139670 0.86 AURKA (0.58) JAK2JAK3AURKAAURKBLCK
SCHEMBL13666774 0.85 JAK2 (0.57) JAK2JAK3
SCHEMBL3148900 0.84 AURKA (0.54) JAK2JAK3AURKAAURKBLCK
SCHEMBL3153439 0.84 AURKA (0.62) JAK2JAK3AURKAAURKBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511742-B1 KINASE INHIBITORS CYTOPIA RES PTY LTD (AU) 2010-02-03 EP claimed
US-7259179-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-08-21 US claimed
US-20070161635-A1 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-07-12 US claimed
US-20050004140-A1 Kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2005-01-06 US claimed
EP-1511742-B1 KINASE INHIBITORS CYTOPIA RES PTY LTD (AU) 2010-02-03 EP disclosed
US-7598272-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-10-06 US disclosed
US-7511047-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-03-31 US disclosed
US-7511047-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-03-31 US disclosed
US-7511047-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-03-31 US disclosed
US-7259179-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-08-21 US disclosed
US-7259179-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-08-21 US disclosed
US-7259179-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-08-21 US disclosed
US-20070161635-A1 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-07-12 US disclosed
US-20070161635-A1 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-07-12 US disclosed
US-20070161635-A1 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-07-12 US disclosed
US-20060270687-A1 Kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2006-11-30 US disclosed
US-20060241112-A1 Such as n-(4-fluorobenzyl)-6-(4-methyl-1H-imidazol-1-yl)pyrazin-2-amine; protein kinase associated disease states YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2006-10-26 US disclosed
US-20050004140-A1 Kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2005-01-06 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 (4 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-20060270687-A1 Kinase inhibitors MAP3K20, MAP3K1, MAP3K19 JAK2 272/4885JAK3 277/4885AURKA 327/4885
US-20060241112-A1 Such as n-(4-fluorobenzyl)-6-(4-methyl-1H-imidazol-1-yl)pyrazin-2-amine; protein kinase associated disease states MAP4K2, MAP4K5, MAP4K4 JAK2 616/4885JAK3 549/4885AURKA 440/4885
US-20050004140-A1 Kinase inhibitors MAP3K20, MAP3K1, MAP3K19 JAK2 272/4885JAK3 277/4885AURKA 327/4885
US-20070161635-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K10 JAK2 309/4885JAK3 285/4885AURKA 358/4885

“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.