SCHEMBL5875503

SCHEMBL5875503

CCSc1cccc2c(-c3nccc(SC)n3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.48
MAPK13 O15264 4/20 0.35
MAPK12 P53778 4/20 0.35
MAPK11 Q15759 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS2 P35354 1/20 0.33
GSK3B P49841 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
EGFR P00533 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
SCHEMBL5875540 0.83 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL5875573 0.80 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL5875487 0.80 MAPK14 (0.66) MAPK14MAPK13PTGS2GSK3BADORA2A
SCHEMBL5383803 0.77 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL5875569 0.70 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5385940 0.69 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5875475 0.69 MAPK14 (0.47) MAPK14KDM4EALDH1A1HPGDPTGS2
SCHEMBL5875492 0.66 MAPK14 (0.66) MAPK14MAPK13PTGS2GSK3BADORA2A
SCHEMBL5875586 0.66 MAPK14 (0.70) MAPK14MAPK13PTGS2GSK3BADORA2A
SCHEMBL5875514 0.65 MAPK14 (0.54) MAPK14PTGS2GSK3BADORA2AADORA2B

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 10 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-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-1372643-A1 PYRAZOLOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-02 EP disclosed
EP-1372642-A1 USE OF PYRAZOLOPYRIDINES 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 (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 3083/4885MAPK13 2190/4885MAPK12 1484/4885
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 MAPK14 2256/4885MAPK13 1593/4885MAPK12 1311/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885MAPK13 2280/4885MAPK12 1530/4885

“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.