SCHEMBL2060673

SCHEMBL2060673

CN(C)Cc1cnc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)s1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 1/20 0.51
AURKB Q96GD4 15/20 0.43
AURKA O14965 6/20 0.43
LCK P06239 2/20 0.40
PTK6 Q13882 2/20 0.39
CHEK1 O14757 3/20 0.38
RPS6KA3 P51812 3/20 0.38
FLT3 P36888 2/20 0.38
EPHB4 P54760 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL2060397 0.81 MAPKAPK5 (0.61) MAPKAPK5AURKBAURKALCKPTK6
SCHEMBL14530178 0.79 AURKB (0.49) MAPKAPK5AURKBAURKALCKPTK6
SCHEMBL10161077 0.77 MAPKAPK5 (0.55) MAPKAPK5AURKBAURKALCKPTK6
SCHEMBL2060283 0.73 MAPKAPK5 (0.59) MAPKAPK5AURKBAURKALCKPTK6
SCHEMBL2060322 0.73 PTK6 (0.50) MAPKAPK5AURKBAURKALCKPTK6
SCHEMBL1674358 0.73 MAPKAPK5 (0.70) MAPKAPK5AURKBAURKALCKPTK6
SCHEMBL1674068 0.72 MAPKAPK5 (0.62) MAPKAPK5AURKBAURKALCKPTK6
SCHEMBL2060429 0.72 PTK6 (0.49) MAPKAPK5AURKBAURKALCKPTK6
SCHEMBL1674071 0.71 MAPKAPK5 (0.70) MAPKAPK5AURKBAURKALCKPTK6
SCHEMBL15063040 0.70 MAPKAPK5 (0.69) MAPKAPK5AURKBAURKALCKPTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006237-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2015-04-14 US disclosed
US-9006237-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2015-04-14 US disclosed
US-9006237-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2015-04-14 US disclosed
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases ANDREWS MARTIN JAMES INGLIS (BE) 2012-09-13 US disclosed
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases ANDREWS MARTIN JAMES INGLIS (BE) 2012-09-13 US disclosed
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases ANDREWS MARTIN JAMES INGLIS (BE) 2012-09-13 US disclosed
US-8148369-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-04-03 US disclosed
US-8148369-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-04-03 US disclosed
US-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, N.V. (BE) 2009-01-08 US disclosed
US-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, N.V. (BE) 2009-01-08 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-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885AURKB 4280/4885AURKA 4395/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885AURKB 4280/4885AURKA 4395/4885

“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.