SCHEMBL12443293

SCHEMBL12443293

O=C1NCc2cc(-c3cnc(Nc4cnc(N5CCCCC5)nc4)c4ncnn34)ccc21

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 5/20 0.72
PIK3CD O00329 2/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
TBK1 Q9UHD2 2/20 0.39
MKNK1 Q9BUB5 5/20 0.39
F9 P00740 1/20 0.38
MKNK2 Q9HBH9 2/20 0.38
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
LRRK2 Q5S007 1/20 0.37
GSK3B P49841 1/20 0.36
PRKCI P41743 1/20 0.36

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
SCHEMBL1477098 0.93 MAPKAPK5 (0.83) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1476626 0.90 MAPKAPK5 (0.66) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL12443280 0.90 MAPKAPK5 (0.72) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL12443284 0.90 MAPKAPK5 (0.89) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL2217060 0.85 MAPKAPK5 (0.76) MAPKAPK5PIK3CDTBK1MKNK1F9
SCHEMBL10169141 0.85 MAPKAPK5 (0.70) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1477011 0.83 MAPKAPK5 (1.00) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL2217522 0.83 MAPKAPK5 (0.83) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL12443700 0.81 MAPKAPK5 (0.65) MAPKAPK5PIK3CDPIK3CAMKNK1F9
SCHEMBL1476116 0.81 MAPKAPK5 (0.66) MAPKAPK5PIK3CDPIK3CAPIK3CBMTOR

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 2 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 disclosed
US-7915256-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-03-29 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 (1 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 5/4885PIK3CD 2861/4885PIK3CA 1911/4885

“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.