SCHEMBL5875504

SCHEMBL5875504

COc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.77
EGFR P00533 1/20 0.56
RAF1 P04049 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
ADORA1 P30542 1/20 0.56
GSK3B P49841 1/20 0.56
CSNK1A1 P48729 2/20 0.51
CSNK1D P48730 2/20 0.51
CSNK1E P49674 1/20 0.51
SRC P12931 3/20 0.50
BRAF P15056 3/20 0.50
KDR P35968 3/20 0.50

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
SCHEMBL5875497 0.86 MAPK14 (0.61) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5452978 0.83 MAPK14 (0.72) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5875533 0.83 MAPK14 (1.00) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5457469 0.81 MAPK14 (1.00) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5458623 0.81 MAPK14 (0.72) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5457561 0.80 MAPK14 (0.71) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5875655 0.79 MAPK14 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5452929 0.77 MAPK14 (0.67) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5875605 0.77 MAPK14 (0.56) MAPK14ADORA2AADORA2BADORA1
SCHEMBL5463975 0.75 MAPK14 (0.63) MAPK14EGFRRAF1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109209-B2 Pyrazolopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US claimed
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds ALBERTI MICHAEL J 2006-03-16 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 2256/4885EGFR 3870/4885RAF1 502/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885EGFR 4605/4885RAF1 1769/4885

“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.