SCHEMBL2217522

SCHEMBL2217522

O=C1NCc2cc(-c3cnc(Nc4ccc(N5CCOCC5)nc4)c4ncnn34)ccc21

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 7/20 0.83
PIK3CA P42336 2/20 0.45
MTOR P42345 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
TBK1 Q9UHD2 1/20 0.44
MAP4K4 O95819 1/20 0.42
PTK6 Q13882 1/20 0.41
MKNK1 Q9BUB5 2/20 0.39
BTK Q06187 2/20 0.39
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
F9 P00740 1/20 0.38
FLT3 P36888 1/20 0.38
MLNR O43193 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
SCHEMBL12443280 0.93 MAPKAPK5 (0.72) MAPKAPK5PIK3CAMTORPIK3CDPIK3CB
SCHEMBL12443818 0.91 MAPKAPK5 (0.74) MAPKAPK5PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1477011 0.91 MAPKAPK5 (1.00) MAPKAPK5PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1477098 0.90 MAPKAPK5 (0.83) MAPKAPK5PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1476116 0.89 MAPKAPK5 (0.66) MAPKAPK5PIK3CAMTORPIK3CDPIK3CB
SCHEMBL12443681 0.88 MAPKAPK5 (0.65) MAPKAPK5PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1674043 0.87 MAPKAPK5 (0.83) MAPKAPK5PIK3CAMTORPIK3CDPIK3CB
SCHEMBL12443284 0.85 MAPKAPK5 (0.89) MAPKAPK5PIK3CAMTORPIK3CDPIK3CB
SCHEMBL2217060 0.84 MAPKAPK5 (0.76) MAPKAPK5PIK3CDTBK1MKNK1F9
SCHEMBL12748943 0.84 MAPKAPK5 (0.75) MAPKAPK5PIK3CAMTORPIK3CDPIK3CB

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-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
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 5/4885PIK3CA 1911/4885MTOR 2773/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885PIK3CA 1742/4885MTOR 2570/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885PIK3CA 1742/4885MTOR 2570/4885

“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.