SCHEMBL2217680

SCHEMBL2217680

CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 3/20 0.49
PIN1 Q13526 1/20 0.40
ROCK2 O75116 8/20 0.38
ROCK1 Q13464 2/20 0.38
PTK6 Q13882 2/20 0.37
LCK P06239 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
XDH P47989 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL2220217 0.80 MAPKAPK5 (0.53) MAPKAPK5ROCK2ROCK1PTK6LCK
SCHEMBL1476281 0.79 ADORA2A (0.50) MAPKAPK5ROCK2ROCK1PTK6ALDH1A1
SCHEMBL2216729 0.77 MAPKAPK5 (0.51) MAPKAPK5ROCK2ROCK1PTK6LCK
SCHEMBL2219352 0.76 MAPKAPK5 (0.54) MAPKAPK5ROCK2ROCK1PTK6LCK
SCHEMBL12443824 0.75 MAPKAPK5 (0.49) MAPKAPK5ROCK2PTK6LCKAURKB
SCHEMBL2217389 0.75 MAPKAPK5 (0.59) MAPKAPK5PTK6LCKAURKB
SCHEMBL1475828 0.73 MAPKAPK5 (0.53) MAPKAPK5ROCK2ROCK1ALDH1A1LMNA
SCHEMBL2217523 0.73 MAPKAPK5 (0.57) MAPKAPK5ROCK2ROCK1PTK6LCK
SCHEMBL2216292 0.73 MAPKAPK5 (0.58) MAPKAPK5PTK6LCKAURKB
SCHEMBL2221225 0.73 MAPKAPK5 (0.54) MAPKAPK5ROCK2ROCK1PTK6LCK

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
US-20110178067-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2011-07-21 US claimed
EP-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP claimed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US claimed
US-20110178067-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2011-07-21 US disclosed
US-7915256-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-03-29 US disclosed
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-11-25 US disclosed
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-11-25 US disclosed
US-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US disclosed
US-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 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 (3 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-20110178067-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES PTGES, IL1B, PTGER1 MAPKAPK5 5/4885PIN1 2594/4885ROCK2 2422/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885PIN1 2797/4885ROCK2 2155/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885PIN1 2797/4885ROCK2 2155/4885

“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.