SCHEMBL2219352

SCHEMBL2219352

COCCN(C)C(=O)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.54
TNKS O95271 1/20 0.46
NAMPT P43490 4/20 0.41
LCK P06239 1/20 0.39
PTK6 Q13882 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAP4K1 Q92918 1/20 0.39
ATR Q13535 1/20 0.38
ROCK2 O75116 4/20 0.37
ROCK1 Q13464 1/20 0.37
PDE10A Q9Y233 1/20 0.36
HDAC4 P56524 1/20 0.35
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
SCHEMBL2220217 0.90 MAPKAPK5 (0.53) MAPKAPK5TNKSNAMPTLCKPTK6
SCHEMBL2223498 0.82 MAPKAPK5 (0.53) MAPKAPK5NAMPTLCKPTK6AURKB
SCHEMBL2218488 0.80 MAPKAPK5 (0.56) MAPKAPK5NAMPTLCKPTK6AURKB
SCHEMBL2217523 0.80 MAPKAPK5 (0.57) MAPKAPK5NAMPTLCKPTK6AURKB
SCHEMBL2219278 0.80 MAPKAPK5 (0.53) MAPKAPK5NAMPTLCKPTK6AURKB
SCHEMBL2216292 0.80 MAPKAPK5 (0.58) MAPKAPK5NAMPTLCKPTK6AURKB
SCHEMBL2217981 0.79 MAPKAPK5 (0.55) MAPKAPK5TNKSNAMPTLCKPTK6
SCHEMBL2218311 0.78 MAPKAPK5 (0.58) MAPKAPK5LCKPTK6AURKBROCK2
SCHEMBL1476281 0.77 ADORA2A (0.50) MAPKAPK5PTK6ROCK2ROCK1
SCHEMBL2216055 0.77 MAPKAPK5 (0.62) MAPKAPK5LCKPTK6AURKBROCK2

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 5/4885TNKS 170/4885NAMPT 1857/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885TNKS 84/4885NAMPT 1137/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885TNKS 84/4885NAMPT 1137/4885

“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.