SCHEMBL3138272

SCHEMBL3138272

C[C@H](Nc1cncc(-n2cnc3cc(NC(=O)[C@@H]4CCCN4)ccc32)n1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
AURKB Q96GD4 2/20 0.49
KHK P50053 1/20 0.43
PSMB8 P28062 1/20 0.42
JAK3 P52333 5/20 0.42
FYN P06241 2/20 0.42
FLT1 P17948 2/20 0.42
KDR P35968 2/20 0.42
BTK Q06187 2/20 0.42
STK16 O75716 1/20 0.42
SRC P12931 1/20 0.42
CSF1R P07333 3/20 0.41
LCK P06239 4/20 0.41
JAK2 O60674 4/20 0.41
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

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
SCHEMBL13666773 1.00 AURKA (0.49) AURKAAURKBKHKPSMB8JAK3
SCHEMBL3143344 0.88 AURKA (0.54) AURKAAURKBJAK3FYNFLT1
SCHEMBL3146870 0.88 AURKA (0.48) AURKAAURKBKHKJAK3FYN
SCHEMBL7020607 0.85 LCK (0.59) JAK3LCKJAK2
SCHEMBL7022394 0.85 LCK (0.59) JAK3LCKJAK2
SCHEMBL3153474 0.84 AURKA (0.49) AURKAAURKBJAK3FYNFLT1
SCHEMBL3148016 0.84 AURKA (0.59) AURKAAURKBJAK3FYNFLT1
SCHEMBL17627185 0.84 AURKA (0.59) AURKAAURKBJAK3FYNFLT1
SCHEMBL7028035 0.83 LCK (0.58) JAK3LCKJAK2
SCHEMBL7015949 0.83 LCK (0.58) JAK3LCKJAK2

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 13 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-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-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 AURKA 327/4885AURKB 349/4885KHK 337/4885
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 AURKA 440/4885AURKB 448/4885KHK 191/4885
US-20050004140-A1 Kinase inhibitors MAP3K20, MAP3K1, MAP3K19 AURKA 327/4885AURKB 349/4885KHK 337/4885
US-20070161635-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K10 AURKA 358/4885AURKB 352/4885KHK 328/4885

“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.