SCHEMBL5875632

SCHEMBL5875632

CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3c(OCC(F)(F)F)cccc23)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.59
GSK3B P49841 8/20 0.45
MAPK13 O15264 2/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
FGFR1 P11362 1/20 0.42
MAPK1 P28482 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
LIMK1 P53667 1/20 0.42
CSNK1G2 P78368 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
CSNK1G3 Q9Y6M4 1/20 0.42
AXL P30530 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
SCHEMBL5875628 0.92 MAPK14 (0.59) MAPK14GSK3BMAPK13PRKD3MAP4K4
SCHEMBL5875483 0.89 MAPK14 (0.50) MAPK14GSK3BMAPK13PRKD3MAP4K4
SCHEMBL5875691 0.86 MAPK14 (0.61) MAPK14GSK3BMAPK13PRKD3MAP4K4
SCHEMBL5457524 0.85 GSK3B (0.46) MAPK14GSK3BAXLMERTKMAPK10
SCHEMBL5875477 0.85 MAPK14 (0.53) MAPK14GSK3BAXLMERTKMAPK10
SCHEMBL5452937 0.84 MAPK14 (0.52) MAPK14GSK3BAXLMERTKMAPK10
SCHEMBL5452931 0.84 MAPK14 (0.49) MAPK14GSK3BMAPK13PRKD3MAP4K4
SCHEMBL5460142 0.84 GSK3B (0.45) MAPK14GSK3BAXLMERTKMAPK10
SCHEMBL5452168 0.84 GSK3B (0.45) MAPK14GSK3BAXLMERTKMAPK10
SCHEMBL5875486 0.84 GSK3B (0.45) MAPK14GSK3BAXLMERTKMAPK10

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