SCHEMBL3154288

SCHEMBL3154288

Cc1nc2ccccc2n1-c1cncc(N[C@@H](C)c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
BMI1 P35226 4/20 0.43
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
TSHR P16473 1/20 0.41
PLK1 P53350 4/20 0.41
LCK P06239 2/20 0.41
JAK2 O60674 3/20 0.40
JAK3 P52333 3/20 0.40

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
SCHEMBL16739914 0.79 BMI1 (0.52) AURKAAURKBMAPK1HTTBMI1
SCHEMBL3137876 0.79 AURKA (0.83) AURKAAURKBCDK9LCKJAK2
SCHEMBL3145171 0.79 AURKA (0.83) AURKAAURKBCDK9LCKJAK2
SCHEMBL5590529 0.79 AURKA (0.83) AURKAAURKBCDK9LCKJAK2
SCHEMBL16739878 0.77 BMI1 (0.50) AURKAAURKBMAPK1HTTBMI1
SCHEMBL16739919 0.77 BMI1 (0.50) AURKAAURKBMAPK1HTTBMI1
SCHEMBL7014700 0.76 LCK (0.66) LCKJAK2JAK3
SCHEMBL16739612 0.76 BMI1 (0.52) AURKAAURKBMAPK1HTTBMI1
SCHEMBL16739832 0.76 BMI1 (0.65) MAPK1HTTBMI1TSHR
SCHEMBL16739838 0.75 BMI1 (0.58) BMI1

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 16 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 disclosed
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-7598272-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-10-06 US 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-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 AURKA 327/4885AURKB 349/4885MAPK1 36/4885
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 448/4885MAPK1 146/4885
US-20050004140-A1 Kinase inhibitors MAP3K20, MAP3K1, MAP3K19 AURKA 327/4885AURKB 349/4885MAPK1 36/4885
US-20070161635-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K10 AURKA 358/4885AURKB 352/4885MAPK1 78/4885

“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.