SCHEMBL5455918

SCHEMBL5455918

CC(=O)c1c(-c2ccc(F)cc2)nn2c(NC3CCCC3)nccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.41
GRIA1 P42261 2/20 0.41
MAPK14 Q16539 11/20 0.39
ALOX5 P09917 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37

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
SCHEMBL5458267 0.85 MEN1 (0.38) CSNK1EGRIA1MAPK14ALOX5CYP1A2
SCHEMBL5458270 0.85 MEN1 (0.38) CSNK1EGRIA1MAPK14ALOX5CYP1A2
SCHEMBL5459554 0.82 ALOX5 (0.42) CSNK1EMAPK14ALOX5CSNK1DRAB9A
SCHEMBL5449622 0.76 CSNK1D (0.53) GRIA1MAPK14PRKD3MAP4K4CDK2
SCHEMBL5452109 0.75 CSNK1D (0.52) GRIA1MAPK14PRKD3MAP4K4MAPK1
SCHEMBL5455904 0.74 MAPK14 (0.46) MAPK14MAPK10
SCHEMBL5453851 0.73 MAPK14 (0.47) GRIA1MAPK14CSNK1DGSK3B
SCHEMBL5212848 0.72 GAA (0.40) MAPK14ALOX5MAP4K4CDK2MAPK1
SCHEMBL5458133 0.71 MKNK1 (0.45) MAPK14CSNK1DGSK3BADORA3ADORA2A
SCHEMBL5457751 0.71 MERTK (0.48) MAPK14CSNK1DMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1485385-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham Corporation (US) 2004-12-15 EP disclosed
WO-2003076441-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO 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 CSNK1E 1182/4885GRIA1 3174/4885MAPK14 2705/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 CSNK1E 1182/4885GRIA1 3174/4885MAPK14 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.