SCHEMBL2220487

SCHEMBL2220487

CCNC(=O)c1cccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 2/20 0.51
ROCK2 O75116 6/20 0.45
ROCK1 Q13464 2/20 0.45
BRAF P15056 3/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
KDR P35968 1/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SYK P43405 1/20 0.38
CDK8 P49336 1/20 0.38
PTK6 Q13882 2/20 0.38
MAP4K4 O95819 1/20 0.38
LCK P06239 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
SCHEMBL2218847 0.89 MAPKAPK5 (0.49) MAPKAPK5ROCK2ROCK1
SCHEMBL1476058 0.88 ROCK2 (0.51) MAPKAPK5ROCK2ROCK1BRAFALDH1A1
SCHEMBL1476656 0.88 MAPKAPK5 (0.48) MAPKAPK5ROCK2ROCK1
SCHEMBL2216729 0.87 MAPKAPK5 (0.51) MAPKAPK5ROCK2ROCK1BRAFALDH1A1
SCHEMBL1476240 0.86 MAPKAPK5 (0.55) MAPKAPK5ROCK2ROCK1BRAFALDH1A1
SCHEMBL2220572 0.86 MAPKAPK5 (0.49) MAPKAPK5ROCK2ROCK1KDRPOLB
SCHEMBL2223481 0.82 MAPKAPK5 (0.56) MAPKAPK5ROCK2ROCK1PTK6LCK
SCHEMBL1476281 0.82 ADORA2A (0.50) MAPKAPK5ROCK2ROCK1ALDH1A1POLB
SCHEMBL1477126 0.80 MAPKAPK5 (0.51) MAPKAPK5PTK6LCKAURKB
SCHEMBL2217523 0.80 MAPKAPK5 (0.57) MAPKAPK5ROCK2ROCK1ALDH1A1PTK6

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 12 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
WO-2007138072-A2 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-12-06 WO 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 5/4885ROCK2 2422/4885ROCK1 2008/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885ROCK2 2155/4885ROCK1 1891/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885ROCK2 2155/4885ROCK1 1891/4885

“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.