SCHEMBL2218945

SCHEMBL2218945

O=C(NCCc1ccc(O)cc1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 3/20 0.54
ROCK2 O75116 6/20 0.41
ROCK1 Q13464 5/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESRRB O95718 2/20 0.39
ESRRG P62508 2/20 0.39
NAMPT P43490 1/20 0.39
MT-CO2 P00403 1/20 0.39
TP53 P04637 3/20 0.38
AURKA O14965 1/20 0.38
LCK P06239 1/20 0.37
PTK6 Q13882 1/20 0.37

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
SCHEMBL2221225 0.92 MAPKAPK5 (0.54) MAPKAPK5ROCK2ROCK1MAPTNPC1
SCHEMBL2216292 0.88 MAPKAPK5 (0.58) MAPKAPK5MAPTGAASMN1; SMN2NAMPT
SCHEMBL2217981 0.85 MAPKAPK5 (0.55) MAPKAPK5ROCK2ROCK1NPC1RAB9A
SCHEMBL2217523 0.83 MAPKAPK5 (0.57) MAPKAPK5ROCK2ROCK1NAMPTTP53
SCHEMBL2219278 0.83 MAPKAPK5 (0.53) MAPKAPK5ROCK2NAMPTAURKALCK
SCHEMBL2218311 0.82 MAPKAPK5 (0.58) MAPKAPK5ROCK2ROCK1MAPTLCK
SCHEMBL1476656 0.82 MAPKAPK5 (0.48) MAPKAPK5ROCK2ROCK1MT-CO2TP53
SCHEMBL1475828 0.81 MAPKAPK5 (0.53) MAPKAPK5ROCK2ROCK1MAPTGAA
SCHEMBL2220369 0.78 MAPKAPK5 (0.57) MAPKAPK5CYP1A2SMN1; SMN2NAMPT
SCHEMBL12443821 0.77 MAPKAPK5 (0.54) MAPKAPK5ROCK2ROCK1CYP1A2CYP2D6

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 5/4885ROCK2 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.