SCHEMBL2060183

SCHEMBL2060183

Cc1cnc(Nc2ncc(-c3ccc4c(c3)CNC4=O)n3ccnc23)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 5/20 0.61
PIK3CD O00329 1/20 0.39
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
POLQ O75417 1/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
GSK3B P49841 2/20 0.38
DAPK3 O43293 1/20 0.38
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
FLT3 P36888 1/20 0.38
ROCK1 Q13464 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
F9 P00740 1/20 0.37
PRKCI P41743 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
AKT1 P31749 1/20 0.37
FYN P06241 1/20 0.36
TTK P33981 1/20 0.35

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
SCHEMBL2060336 0.87 MAPKAPK5 (0.61) MAPKAPK5PIK3CDTGFBR1ACVR1POLQ
SCHEMBL2060198 0.86 MAPKAPK5 (0.57) MAPKAPK5PIK3CDTGFBR1ACVR1POLQ
SCHEMBL2060514 0.85 MAPKAPK5 (0.63) MAPKAPK5PIK3CDTGFBR1ACVR1AURKA
SCHEMBL2060525 0.84 MAPKAPK5 (0.61) MAPKAPK5PIK3CDTGFBR1ACVR1POLQ
SCHEMBL279679 0.83 MAPKAPK5 (0.65) MAPKAPK5PIK3CDTGFBR1ACVR1GSK3B
SCHEMBL2061183 0.83 MAPKAPK5 (0.59) MAPKAPK5PIK3CDTGFBR1ACVR1GSK3B
SCHEMBL2060490 0.83 MAPKAPK5 (0.67) MAPKAPK5PIK3CDFYNTBK1
SCHEMBL2060181 0.83 MAPKAPK5 (0.42) MAPKAPK5AURKAAURKBGSK3BFYN
SCHEMBL2060471 0.82 MAPKAPK5 (0.60) MAPKAPK5PIK3CDTGFBR1ACVR1POLQ
SCHEMBL5574904 0.82 MAPKAPK5 (0.74) MAPKAPK5AURKAGSK3BF9PRKCI

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 307/4885PIK3CD 3995/4885TGFBR1 2118/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885PIK3CD 3995/4885TGFBR1 2118/4885

“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.