SCHEMBL5875487

SCHEMBL5875487

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.66
ADORA2A P29274 6/20 0.35
ADORA2B P29275 5/20 0.35
ADORA1 P30542 5/20 0.35
GSK3B P49841 5/20 0.35
MAPK13 O15264 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
FGFR1 P11362 1/20 0.33
MAPK1 P28482 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
LIMK1 P53667 1/20 0.33
CSNK1G2 P78368 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33

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
SCHEMBL5875573 0.88 MAPK14 (0.56) MAPK14ADORA2AADORA2BADORA1GSK3B
SCHEMBL5875586 0.87 MAPK14 (0.70) MAPK14ADORA2AADORA2BADORA1GSK3B
SCHEMBL5875492 0.87 MAPK14 (0.66) MAPK14ADORA2AADORA2BADORA1GSK3B
SCHEMBL5875490 0.85 MAPK14 (0.64) MAPK14ADORA2AADORA2BADORA1GSK3B
SCHEMBL5875534 0.83 MAPK14 (0.64) MAPK14ADORA2AADORA2BADORA1GSK3B
SCHEMBL5875540 0.81 MAPK14 (0.60) MAPK14ADORA2AADORA2BADORA1GSK3B
SCHEMBL5875503 0.80 MAPK14 (0.48) MAPK14ADORA2AADORA2BADORA1GSK3B
SCHEMBL5383803 0.74 MAPK14 (0.58) MAPK14ADORA2AADORA2BADORA1GSK3B
SCHEMBL5875632 0.74 MAPK14 (0.59) MAPK14GSK3BMAPK13PRKD3MAP4K4
SCHEMBL5875691 0.74 MAPK14 (0.61) MAPK14GSK3BMAPK13PRKD3MAP4K4

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 9 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-7109209-B2 Pyrazolopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 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
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
EP-1372642-A1 USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-02 EP disclosed
EP-1372643-A1 PYRAZOLOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-02 EP disclosed
WO-2002078700-A1 PYRALOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPTEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
WO-2002078701-A1 USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO 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 2256/4885ADORA2A 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.