SCHEMBL2217754

SCHEMBL2217754

c1nc2c(Nc3ccc(N4CCOCC4)cc3)ncc(-c3ccc4cn[nH]c4c3)n2n1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.68
SYK P43405 15/20 0.63
BTK Q06187 5/20 0.63
JAK2 O60674 1/20 0.60
NTRK1 P04629 1/20 0.60
ROS1 P08922 1/20 0.60
CSNK2A2 P19784 1/20 0.60
FLT3 P36888 1/20 0.60
CSNK2B P67870 1/20 0.60
CSNK2A1 P68400 1/20 0.60
PTK6 Q13882 1/20 0.60
CSNK2A3 Q8NEV1 1/20 0.60
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56

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
SCHEMBL2218980 0.93 MAPKAPK5 (0.70) MAPKAPK5SYKBTKJAK2NTRK1
SCHEMBL2219063 0.89 MAPKAPK5 (0.55) MAPKAPK5SYKBTKJAK2NTRK1
SCHEMBL30299547 0.82 SYK (0.73) SYKBTKJAK2NTRK1ROS1
SCHEMBL25292732 0.82 SYK (0.73) SYKBTKJAK2NTRK1ROS1
SCHEMBL1475901 0.81 MAPKAPK5 (1.00) MAPKAPK5SYKPTK6
SCHEMBL2218278 0.80 MAPKAPK5 (0.66) MAPKAPK5
SCHEMBL1476403 0.80 MAPKAPK5 (0.70) MAPKAPK5SYK
SCHEMBL1476413 0.79 MAPKAPK5 (0.67) MAPKAPK5SYKBTKPDGFRBPDGFRA
SCHEMBL2221000 0.79 MAPKAPK5 (0.70) MAPKAPK5SYK
SCHEMBL2221696 0.79 MAPKAPK5 (0.64) MAPKAPK5

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-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-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 5/4885SYK 2456/4885BTK 4417/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885SYK 2261/4885BTK 4104/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885SYK 2261/4885BTK 4104/4885

“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.