SCHEMBL5875486

SCHEMBL5875486

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.45
MERTK Q12866 2/20 0.43
MAPK14 Q16539 3/20 0.42
AXL P30530 2/20 0.42
MAPK10 P53779 2/20 0.41
TYRO3 Q06418 1/20 0.41

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
SCHEMBL5875557 0.96 GSK3B (0.44) GSK3BMERTKMAPK14AXLMAPK10
SCHEMBL5457524 0.89 GSK3B (0.46) GSK3BMERTKMAPK14AXLMAPK10
SCHEMBL5875477 0.89 MAPK14 (0.53) GSK3BMERTKMAPK14AXLMAPK10
SCHEMBL5452937 0.88 MAPK14 (0.52) GSK3BMERTKMAPK14AXLMAPK10
SCHEMBL5460142 0.87 GSK3B (0.45) GSK3BMERTKMAPK14AXLMAPK10
SCHEMBL5452168 0.87 GSK3B (0.45) GSK3BMERTKMAPK14AXLMAPK10
SCHEMBL5462435 0.86 GSK3B (0.44) GSK3BMERTKMAPK14AXLMAPK10
SCHEMBL5464066 0.85 GSK3B (0.43) GSK3BMERTKMAPK14AXLMAPK10
SCHEMBL5875483 0.84 MAPK14 (0.50) GSK3BMERTKMAPK14AXLMAPK10
SCHEMBL5460085 0.84 MAPK14 (0.42) GSK3BMERTKMAPK14AXLMAPK10

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 5 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

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 2419/4885MERTK 3667/4885MAPK14 2256/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 GSK3B 3047/4885MERTK 2415/4885MAPK14 1551/4885

“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.