SCHEMBL5875701

SCHEMBL5875701

Fc1ccc(-c2nn3c(OCC(F)(F)F)cccc3c2-c2ccnc(NC3CC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.61
CSNK1D P48730 1/20 0.47
GSK3B P49841 6/20 0.46
CDK4 P11802 3/20 0.45
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
KDR P35968 1/20 0.42
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
CSNK1G2 P78368 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
AURKB Q96GD4 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
SCHEMBL5875508 0.97 MAPK14 (0.59) MAPK14CSNK1DGSK3BCDK4MAPK13
SCHEMBL5875472 0.96 MAPK14 (0.58) MAPK14CSNK1DGSK3BCDK4MAPK13
SCHEMBL5875691 0.84 MAPK14 (0.61) MAPK14CSNK1DGSK3BMAPK13MAPK12
SCHEMBL5875628 0.83 MAPK14 (0.59) MAPK14CSNK1DGSK3BMAPK13KDR
SCHEMBL5875632 0.83 MAPK14 (0.59) MAPK14CSNK1DGSK3BMAPK13MAPK12
SCHEMBL5459543 0.83 MAPK14 (0.54) MAPK14CSNK1DGSK3BCDK4MAPK13
SCHEMBL5875529 0.82 CDK4 (0.52) MAPK14CSNK1DGSK3BCDK4MAPK13
SCHEMBL5456838 0.80 CSNK1D (0.51) MAPK14CSNK1DGSK3BCDK4MAPK13
SCHEMBL5461798 0.79 MAPK14 (0.53) MAPK14CSNK1DGSK3BCDK4MAPK13
SCHEMBL5462491 0.79 CSNK1D (0.51) MAPK14CSNK1DGSK3BCDK4MAPK13

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 MAPK14 2256/4885CSNK1D 542/4885GSK3B 2419/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885CSNK1D 2789/4885GSK3B 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.