SCHEMBL5875540

SCHEMBL5875540

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.60
PTGS2 P35354 3/20 0.38
GSK3B P49841 4/20 0.35
ADORA2A P29274 3/20 0.35
ADORA2B P29275 3/20 0.35
ADORA1 P30542 3/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
GRIA1 P42261 2/20 0.34

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
SCHEMBL5875503 0.83 MAPK14 (0.48) MAPK14PTGS2GSK3BADORA2AADORA2B
SCHEMBL5875573 0.82 MAPK14 (0.56) MAPK14PTGS2GSK3BADORA2AADORA2B
SCHEMBL5875487 0.81 MAPK14 (0.66) MAPK14PTGS2GSK3BADORA2AADORA2B
SCHEMBL5383803 0.80 MAPK14 (0.58) MAPK14PTGS2GSK3BADORA2AADORA2B
SCHEMBL5457579 0.79 MAPK14 (0.61) MAPK14GSK3BADORA2AADORA2BADORA1
SCHEMBL5459561 0.75 MAPK14 (0.58) MAPK14PTGS2GSK3BADORA2AADORA2B
SCHEMBL5457469 0.75 MAPK14 (1.00) MAPK14PTGS2GSK3BADORA2AADORA2B
SCHEMBL5449758 0.72 MAPK14 (0.57) MAPK14GSK3B
SCHEMBL5385940 0.72 MAPK14 (0.61) MAPK14GSK3BADORA2AADORA2BADORA1
SCHEMBL5452937 0.70 MAPK14 (0.52) MAPK14GSK3B

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 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
US-20050059677-A1 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-17 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 3083/4885PTGS2 459/4885GSK3B 1913/4885
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 MAPK14 2256/4885PTGS2 703/4885GSK3B 2419/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885PTGS2 1151/4885GSK3B 3047/4885

“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.