SCHEMBL276650

SCHEMBL276650

O=C1NCc2cc(-c3cnc(NC4CCN(C(=O)O)CC4)c4ncnn34)ccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 3/20 0.58
▸ GSK3B P49841 3/20 0.43
▸ SYK P43405 2/20 0.39
▸ MKNK2 Q9HBH9 3/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ MKNK1 Q9BUB5 2/20 0.35
▸ EIF4E P06730 1/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TBK1 Q9UHD2 2/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35

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
SCHEMBL275492 0.90 MAPKAPK5 (0.64) MAPKAPK5GSK3BMKNK2LRRK2MKNK1
SCHEMBL275511 0.89 MAPKAPK5 (0.57) MAPKAPK5GSK3BMKNK2MKNK1EIF4E
SCHEMBL12748942 0.89 MAPKAPK5 (0.54) MAPKAPK5GSK3BSYKMKNK2LRRK2
SCHEMBL274499 0.89 MAPKAPK5 (0.62) MAPKAPK5GSK3BMKNK2LRRK2MKNK1
SCHEMBL275870 0.89 MAPKAPK5 (0.62) MAPKAPK5GSK3BMKNK2LRRK2MKNK1
SCHEMBL12443705 0.88 MAPKAPK5 (0.53) MAPKAPK5GSK3BSYKMKNK2LRRK2
SCHEMBL274684 0.88 MAPKAPK5 (0.53) MAPKAPK5GSK3BSYKPIK3CDPIK3CA
SCHEMBL275198 0.88 MAPKAPK5 (0.59) MAPKAPK5GSK3BMKNK2LRRK2MKNK1
SCHEMBL274672 0.88 MAPKAPK5 (0.61) MAPKAPK5GSK3BMKNK2LRRK2MKNK1
SCHEMBL273764 0.88 MAPKAPK5 (0.61) MAPKAPK5GSK3BMKNK2LRRK2MKNK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 — — US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 — — US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 — — US disclosed
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases GALAPAGOS, N.V. (BE) 2009-05-21 — — 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 (2 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-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases NOD1, TNF, NOD2 MAPKAPK5 1247/4885GSK3B 4694/4885SYK 1903/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 MAPKAPK5 1958/4885GSK3B 4806/4885SYK 1435/4885

“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.

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