SCHEMBL5400263

SCHEMBL5400263

CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3ccccc23)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.50
MAPK14 Q16539 3/20 0.50
EGFR P00533 1/20 0.50
RAF1 P04049 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
MAPK9 P45984 2/20 0.46
MAPK8 P45983 1/20 0.46
MERTK Q12866 1/20 0.43
SLC2A1 P11166 1/20 0.43
MAPK10 P53779 3/20 0.43
PDE4B Q07343 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL5761868 0.94 GSK3B (0.52) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL5388606 0.85 GSK3B (0.54) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL5875477 0.84 MAPK14 (0.53) GSK3BMAPK14MERTKMAPK10
SCHEMBL5457524 0.84 GSK3B (0.46) GSK3BMAPK14MERTKMAPK10
SCHEMBL5388940 0.83 MAPK14 (0.53) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL5395995 0.83 GSK3B (0.59) GSK3BMAPK14EGFRRAF1ADORA3
SCHEMBL5388005 0.83 MAPK14 (0.53) GSK3BMAPK14MERTKMAPK10
SCHEMBL5452937 0.83 MAPK14 (0.52) GSK3BMAPK14MERTKMAPK10
SCHEMBL5452168 0.82 GSK3B (0.45) GSK3BMAPK14MERTKMAPK10
SCHEMBL5460142 0.82 GSK3B (0.45) GSK3BMAPK14MERTKMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-7034030-B2 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-25 US disclosed
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds ALBERTI MICHAEL J 2006-03-16 US disclosed
EP-1311507-B1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LTD (GB) 2006-03-01 EP disclosed
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-03-18 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-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 GSK3B 2419/4885MAPK14 2256/4885EGFR 3870/4885
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 GSK3B 326/4885MAPK14 77/4885EGFR 786/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 GSK3B 3047/4885MAPK14 1551/4885EGFR 4605/4885

“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.