SCHEMBL5875554

SCHEMBL5875554

FCCOc1cccc2c(-c3ccnc(NCc4ccccc4)n3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.48
MAPK14 Q16539 6/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MKNK1 Q9BUB5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CDK2 P24941 1/20 0.39

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
SCHEMBL5875691 0.89 MAPK14 (0.61) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5875483 0.86 MAPK14 (0.50) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5388606 0.80 GSK3B (0.54) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5875628 0.77 MAPK14 (0.59) GSK3BMAPK14MAPK13
SCHEMBL5875632 0.75 MAPK14 (0.59) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5395995 0.74 GSK3B (0.59) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5210329 0.74 LCK (0.44) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5875573 0.73 MAPK14 (0.56) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5404386 0.73 MAPK14 (0.54) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5875701 0.73 MAPK14 (0.61) GSK3BMAPK14MAPK13MAPK12MAPK11

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 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 GSK3B 2419/4885MAPK14 2256/4885MAPK13 1593/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 GSK3B 3047/4885MAPK14 1551/4885MAPK13 2280/4885

“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.