SCHEMBL5212552

SCHEMBL5212552

c1coc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 3/20 0.45
PRKAG1 P54619 3/20 0.45
PRKAA2 P54646 3/20 0.45
PRKAA1 Q13131 3/20 0.45
PRKAG3 Q9UGI9 3/20 0.45
PRKAG2 Q9UGJ0 3/20 0.45
PRKAB1 Q9Y478 3/20 0.45
CDK4 P11802 5/20 0.44
ADORA3 P0DMS8 4/20 0.43
ADORA2A P29274 4/20 0.43
ADORA1 P30542 4/20 0.43
ADORA2B P29275 1/20 0.43
KDR P35968 3/20 0.42
MAPK10 P53779 1/20 0.42
GSK3B P49841 3/20 0.41
CDK2 P24941 3/20 0.39
EIF2AK2 P19525 2/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNB2 O95067 2/20 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
SCHEMBL5210007 0.99 CDK4 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5209101 0.91 CDK4 (0.49) CDK4KDRMAPK10GSK3BCDK2
SCHEMBL5215553 0.90 CDK4 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5208591 0.87 CDK4 (0.54) CDK4KDRMAPK10GSK3BCDK2
SCHEMBL5212757 0.86 GAA (0.44) CDK4KDRMAPK10GSK3BCDK2
SCHEMBL6105435 0.85 MAPK10 (0.52) CDK4ADORA1KDRMAPK10GSK3B
SCHEMBL5211093 0.84 CDK4 (0.46) CDK4KDRMAPK10GSK3BCDK2
SCHEMBL5210327 0.84 CDK4 (0.46) CDK4KDRMAPK10GSK3BCDK2
SCHEMBL6105760 0.83 MAPK10 (0.49) CDK4ADORA1KDRMAPK10GSK3B
SCHEMBL5211736 0.83 CDK4 (0.48) CDK4KDRMAPK10GSK3BCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453830-B1 PYRAZOLO-PYRIDINE DERIVATIVES AS ANTIHERPES AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-12 EP claimed
US-7199120-B2 Pyrazolo-pyridine derivatives as antiherpes agents SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US claimed
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents SMITHKLINE BEECHAM CORPORATION 2004-12-09 US claimed
EP-1453830-B1 PYRAZOLO-PYRIDINE DERIVATIVES AS ANTIHERPES AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-12 EP disclosed
EP-1453830-B1 PYRAZOLO-PYRIDINE DERIVATIVES AS ANTIHERPES AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-12 EP disclosed
US-20070161653-A1 Pyrazolo-Pyridine Derivatives As Antiherpes Agents GUDMUNDSSON KRISTJAN 2007-07-12 US disclosed
US-20070161653-A1 Pyrazolo-Pyridine Derivatives As Antiherpes Agents GUDMUNDSSON KRISTJAN 2007-07-12 US disclosed
US-20070161653-A1 Pyrazolo-Pyridine Derivatives As Antiherpes Agents GUDMUNDSSON KRISTJAN 2007-07-12 US disclosed
US-7199120-B2 Pyrazolo-pyridine derivatives as antiherpes agents SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199120-B2 Pyrazolo-pyridine derivatives as antiherpes agents SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199120-B2 Pyrazolo-pyridine derivatives as antiherpes agents SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents SMITHKLINE BEECHAM CORPORATION 2004-12-09 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-20070161653-A1 Pyrazolo-Pyridine Derivatives As Antiherpes Agents HRH4, HRH2, HRH1 PRKAB2 2637/4885PRKAG1 2687/4885PRKAA2 3525/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 PRKAB2 2871/4885PRKAG1 2819/4885PRKAA2 3778/4885

“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.