SCHEMBL3557522

SCHEMBL3557522

CC(Nc1cncc(-n2cnc3cc(CO)ccc32)n1)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.71
AURKB Q96GD4 2/20 0.71
JAK2 O60674 6/20 0.47
JAK3 P52333 6/20 0.47
LCK P06239 4/20 0.46
CDK9 P50750 2/20 0.46
CHEK1 O14757 1/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
NTRK1 P04629 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
MET P08581 1/20 0.46
PDGFRB P09619 1/20 0.46
PIM1 P11309 1/20 0.46

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
SCHEMBL13313150 1.00 AURKA (0.71) AURKAAURKBJAK2JAK3LCK
SCHEMBL3557452 0.93 AURKA (0.71) AURKAAURKBJAK2JAK3LCK
SCHEMBL13313149 0.93 AURKA (0.71) AURKAAURKBJAK2JAK3LCK
SCHEMBL3144045 0.90 AURKA (0.62) AURKAAURKBJAK2JAK3LCK
SCHEMBL13313145 0.89 AURKA (0.68) AURKAAURKBJAK2JAK3LCK
SCHEMBL13313142 0.88 AURKA (0.67) AURKAAURKBJAK2JAK3LCK
SCHEMBL13313291 0.85 AURKA (0.63) AURKAAURKBJAK2JAK3LCK
SCHEMBL13313146 0.84 AURKA (0.62) AURKAAURKBJAK2JAK3LCK
SCHEMBL13313163 0.83 AURKA (1.00) AURKAAURKBJAK2JAK3LCK
SCHEMBL13666776 0.83 AURKA (1.00) AURKAAURKBJAK2JAK3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689739-B1 AZOLE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-30 EP claimed
US-7737143-B2 Substituted pyrazines as kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2010-06-15 US claimed
US-20070099935-A1 such as 6-(1H-Benzimidazol-1-yl)-N-benzylpyrazin-2-amine, used as antidiabetic, anticarcinogenic and antiarthritic agents or for treating autoimmune diseases YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2007-05-03 US claimed
EP-1689739-B1 AZOLE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-30 EP disclosed
EP-1689739-B1 AZOLE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-30 EP disclosed
US-7737143-B2 Substituted pyrazines as kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2010-06-15 US disclosed
US-7737143-B2 Substituted pyrazines as kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2010-06-15 US disclosed
US-7737143-B2 Substituted pyrazines as kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2010-06-15 US disclosed
US-20070099935-A1 such as 6-(1H-Benzimidazol-1-yl)-N-benzylpyrazin-2-amine, used as antidiabetic, anticarcinogenic and antiarthritic agents or for treating autoimmune diseases YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2007-05-03 US disclosed
US-20070099935-A1 such as 6-(1H-Benzimidazol-1-yl)-N-benzylpyrazin-2-amine, used as antidiabetic, anticarcinogenic and antiarthritic agents or for treating autoimmune diseases YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2007-05-03 US disclosed
US-20070099935-A1 such as 6-(1H-Benzimidazol-1-yl)-N-benzylpyrazin-2-amine, used as antidiabetic, anticarcinogenic and antiarthritic agents or for treating autoimmune diseases YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2007-05-03 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 (1 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-20070099935-A1 such as 6-(1H-Benzimidazol-1-yl)-N-benzylpyrazin-2-amine, used as antidiabetic, anticarcinogenic and antiarthritic agents or for treating autoimmune diseases PRKACA, MAP3K6, PRKDC AURKA 486/4885AURKB 837/4885JAK2 208/4885

“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.