SCHEMBL5875472

SCHEMBL5875472

Fc1ccc(-c2nn3c(OCC(F)(F)F)cccc3c2-c2ccnc(NC3CCCCC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.58
CSNK1D P48730 1/20 0.46
GSK3B P49841 4/20 0.44
MAPK10 P53779 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
CDK4 P11802 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 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 0.99 MAPK14 (0.59) MAPK14CSNK1DGSK3BMAPK10MAPK13
SCHEMBL5875701 0.96 MAPK14 (0.61) MAPK14CSNK1DGSK3BMAPK13MAPK12
SCHEMBL5462491 0.84 CSNK1D (0.51) MAPK14CSNK1DGSK3BMAPK10MAPK13
SCHEMBL5456838 0.83 CSNK1D (0.51) MAPK14CSNK1DGSK3BMAPK10MAPK13
SCHEMBL5452916 0.83 CSNK1D (0.51) MAPK14CSNK1DGSK3BMAPK10MAPK13
SCHEMBL5461798 0.83 MAPK14 (0.53) MAPK14CSNK1DGSK3BMAPK10MAPK13
SCHEMBL5875691 0.82 MAPK14 (0.61) MAPK14CSNK1DGSK3BMAPK13MAPK12
SCHEMBL5875628 0.81 MAPK14 (0.59) MAPK14CSNK1DGSK3BMAPK13
SCHEMBL5875632 0.81 MAPK14 (0.59) MAPK14CSNK1DGSK3BMAPK10MAPK13
SCHEMBL5890927 0.80 CDK4 (0.49) MAPK14CSNK1DGSK3BMAPK10MAPK13

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.