SCHEMBL5458133

SCHEMBL5458133

Fc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nn4c(NC5CCCC5)nccc34)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
CSNK1D P48730 1/20 0.45
MAPK14 Q16539 3/20 0.44
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
KCNH2 Q12809 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
GSK3B P49841 2/20 0.41
CDK4 P11802 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MAPK10 P53779 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
SCHEMBL5449622 0.91 CSNK1D (0.53) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL5452109 0.90 CSNK1D (0.52) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL5451619 0.88 GSK3B (0.43) MKNK1CSNK1DMAPK14MAPK13MAPK12
SCHEMBL5457751 0.88 MERTK (0.48) CSNK1DMAPK14MAPK10
SCHEMBL5453851 0.86 MAPK14 (0.47) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL5453810 0.85 GSK3B (0.59) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL5457629 0.82 CSNK1D (0.49) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL5463503 0.81 MAPK10 (0.43) CSNK1DGSK3BCDK4MAPK10
SCHEMBL5447575 0.81 GSK3B (0.45) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL5453023 0.80 GSK3B (0.44) CSNK1DMAPK14MAPK13MAPK12MAPK11

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US claimed
EP-1485385-B1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
US-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION 2005-06-09 US claimed
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US disclosed
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US disclosed
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US disclosed
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US disclosed
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US disclosed
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US disclosed
EP-1485385-B1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
US-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION 2005-06-09 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-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them CYP3A5, CYP3A4, CYP3A7 MKNK1 1634/4885CSNK1D 516/4885MAPK14 2705/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 MKNK1 1634/4885CSNK1D 516/4885MAPK14 2705/4885

“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.