SCHEMBL2060116

SCHEMBL2060116

CC(C)N1CCN(Cc2cnc(Nc3ncc(-c4ccc5c(c4)CNC5=O)n4ccnc34)s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 6/20 0.56
OGA O60502 5/20 0.44
TTK P33981 3/20 0.35
AKT1 P31749 1/20 0.34
SYK P43405 2/20 0.34
FYN P06241 1/20 0.34
PIK3CD O00329 1/20 0.33
CCND1 P24385 1/20 0.33
CDK6 Q00534 1/20 0.33

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
SCHEMBL2061183 0.90 MAPKAPK5 (0.59) MAPKAPK5OGAAKT1FYNPIK3CD
SCHEMBL2060490 0.89 MAPKAPK5 (0.67) MAPKAPK5OGAFYNPIK3CD
SCHEMBL2060111 0.87 MAPKAPK5 (0.40) MAPKAPK5OGATTKSYKFYN
SCHEMBL2060336 0.84 MAPKAPK5 (0.61) MAPKAPK5OGATTKAKT1FYN
SCHEMBL2060183 0.82 MAPKAPK5 (0.61) MAPKAPK5TTKAKT1FYNPIK3CD
SCHEMBL10160851 0.81 MAPKAPK5 (0.52) MAPKAPK5OGAAKT1SYKPIK3CD
SCHEMBL1674360 0.80 MAPKAPK5 (0.79) MAPKAPK5OGASYKFYN
SCHEMBL1674353 0.80 MAPKAPK5 (0.64) MAPKAPK5OGATTKSYKFYN
SCHEMBL2060198 0.79 MAPKAPK5 (0.57) MAPKAPK5OGATTKAKT1FYN
SCHEMBL1674235 0.79 MAPKAPK5 (0.65) MAPKAPK5TTKSYKFYN

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 307/4885OGA 4662/4885TTK 4372/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885OGA 4662/4885TTK 4372/4885

“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.