SCHEMBL5875609

SCHEMBL5875609

C[S+]([O-])c1cccc2c(-c3ccncn3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
MAPK9 P45984 2/20 0.47
EGFR P00533 2/20 0.47
CSNK1A1 P48729 2/20 0.47
MAP4K4 O95819 1/20 0.47
FRK P42685 1/20 0.47
MAPK10 P53779 1/20 0.43
MAPK11 Q15759 1/20 0.43
GSK3B P49841 3/20 0.40
RAF1 P04049 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
PTGS2 P35354 2/20 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
SCHEMBL5875590 0.84 MAPK14 (0.73) MAPK14MAPK9EGFRCSNK1A1MAP4K4
SCHEMBL5875569 0.81 MAPK14 (0.53) MAPK14MAPK9EGFRCSNK1A1MAP4K4
SCHEMBL5389738 0.74 MAPK14 (0.72) MAPK14MAPK9EGFRCSNK1A1MAP4K4
SCHEMBL5875475 0.71 MAPK14 (0.47) MAPK14EGFRGSK3BRAF1ADORA3
SCHEMBL5875533 0.69 MAPK14 (1.00) MAPK14EGFRCSNK1A1GSK3BRAF1
SCHEMBL5452131 0.69 MAPK14 (0.40) MAPK14GSK3B
SCHEMBL14593062 0.67 GSK3B (0.55) MAPK14MAPK9EGFRCSNK1A1GSK3B
SCHEMBL8836423 0.67 PTGS2 (0.59) MAPK14MAPK9EGFRCSNK1A1MAP4K4
SCHEMBL5452978 0.66 MAPK14 (0.72) MAPK14EGFRCSNK1A1GSK3BRAF1
SCHEMBL5457469 0.66 MAPK14 (1.00) MAPK14EGFRCSNK1A1MAPK11GSK3B

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-7034030-B2 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-25 US claimed
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
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 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-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 MAPK14 2256/4885MAPK9 757/4885EGFR 3870/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885MAPK9 2403/4885EGFR 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.