SCHEMBL2218943

SCHEMBL2218943

CC(C)N1CCN(c2ccc(Nc3ncc(-c4ccc5c(c4)C(=O)NC5)n4ncnc34)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 11/20 0.70
OGA O60502 1/20 0.42
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
CDK2 P24941 4/20 0.38
CCNE1 P24864 2/20 0.38
CCND3 P30281 2/20 0.37
CCNT1 O60563 1/20 0.37
TTK P33981 1/20 0.37
FLT3 P36888 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
CDK6 Q00534 1/20 0.37
NEK10 Q6ZWH5 1/20 0.37
ULK2 Q8IYT8 1/20 0.37
NUAK2 Q9H093 1/20 0.37
FYN P06241 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
SYK P43405 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
SCHEMBL1475077 0.94 MAPKAPK5 (0.81) MAPKAPK5OGACDK4CCND1CDK2
SCHEMBL12443728 0.92 MAPKAPK5 (0.77) MAPKAPK5OGACDK4CCND1CDK2
SCHEMBL13032668 0.87 MAPKAPK5 (0.64) MAPKAPK5CDK4CCND1CDK2CCNE1
SCHEMBL12443695 0.87 MAPKAPK5 (0.64) MAPKAPK5OGACDK4CCND1CDK2
SCHEMBL12515268 0.87 MAPKAPK5 (0.59) MAPKAPK5CDK4CCND1CDK2CCNE1
SCHEMBL1476876 0.85 MAPKAPK5 (0.61) MAPKAPK5CDK4CCND1CDK2CCNE1
SCHEMBL1476382 0.84 MAPKAPK5 (0.58) MAPKAPK5CDK4CCND1CDK2CCNE1
SCHEMBL1476116 0.84 MAPKAPK5 (0.66) MAPKAPK5CDK4CCND1CDK2PIK3CA
SCHEMBL1476626 0.84 MAPKAPK5 (0.66) MAPKAPK5CDK4CCND1CDK2CCNE1
SCHEMBL2221747 0.84 MAPKAPK5 (0.66) MAPKAPK5OGACDK4CCND1CDK2

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-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-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US 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-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-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

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 5/4885OGA 4562/4885CDK4 163/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885OGA 4327/4885CDK4 304/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885OGA 4327/4885CDK4 304/4885

“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.