SCHEMBL10161077

SCHEMBL10161077

c1csc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 2/20 0.55
AURKB Q96GD4 12/20 0.48
AURKA O14965 8/20 0.48
PTK6 Q13882 1/20 0.42
LCK P06239 2/20 0.41
CHEK1 O14757 2/20 0.39
CHEK2 O96017 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
CSNK1D P48730 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
GRM4 Q14833 1/20 0.38

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
SCHEMBL1674071 0.78 MAPKAPK5 (0.70) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL30806208 0.77 GRM4 (0.38) MAPKAPK5AURKBAURKARPS6KA3GRM4
SCHEMBL14530178 0.77 AURKB (0.49) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL2060673 0.77 MAPKAPK5 (0.51) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL15063040 0.77 MAPKAPK5 (0.69) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL5571621 0.76 MAPKAPK5 (0.62) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL10169565 0.75 MAPKAPK5 (0.64) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL1674354 0.75 AURKA (0.65) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL10169476 0.75 AURKA (0.65) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL2060397 0.74 MAPKAPK5 (0.61) MAPKAPK5AURKBAURKAPTK6LCK

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.