SCHEMBL5875573

SCHEMBL5875573

CSc1ccnc(-c2c(-c3ccc(F)cc3)nn3c(OCCF)cccc23)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.56
ADORA2A P29274 5/20 0.34
ADORA2B P29275 4/20 0.34
ADORA1 P30542 4/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIA1 P42261 4/20 0.33
PTGS2 P35354 2/20 0.32
GSK3B P49841 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
CACNG2 Q9Y698 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31

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
SCHEMBL5875487 0.88 MAPK14 (0.66) MAPK14ADORA2AADORA2BADORA1GRIA1
SCHEMBL5875514 0.85 MAPK14 (0.54) MAPK14ADORA2AADORA2BADORA1MEN1
SCHEMBL5875540 0.82 MAPK14 (0.60) MAPK14ADORA2AADORA2BADORA1GRIA1
SCHEMBL5875503 0.80 MAPK14 (0.48) MAPK14ADORA2AADORA2BADORA1MAPT
SCHEMBL5383803 0.75 MAPK14 (0.58) MAPK14ADORA2AADORA2BADORA1PTGS2
SCHEMBL5875586 0.74 MAPK14 (0.70) MAPK14ADORA2AADORA2BADORA1GRIA1
SCHEMBL5875492 0.74 MAPK14 (0.66) MAPK14ADORA2AADORA2BADORA1MAPT
SCHEMBL5875483 0.74 MAPK14 (0.50) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL5875554 0.73 GSK3B (0.48) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL5875490 0.73 MAPK14 (0.64) MAPK14ADORA2AADORA2BADORA1GRIA1

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-7034030-B2 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-25 US claimed
US-20050059677-A1 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-17 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 (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-20050059677-A1 Pyralopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP2C19 MAPK14 3083/4885ADORA2A 1028/4885ADORA2B 817/4885
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 MAPK14 2256/4885ADORA2A 1622/4885ADORA2B 1297/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885ADORA2A 889/4885ADORA2B 1311/4885

“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.