SCHEMBL5209423

SCHEMBL5209423

Brc1c(-c2ccco2)nn2c(NC3CCCC3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 13/20 0.43
ADORA2A P29274 13/20 0.43
ADORA1 P30542 13/20 0.43
ADORA2B P29275 6/20 0.42
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
PTPN7 P35236 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
SCHEMBL5212300 0.79 MAPK14 (0.39) ADORA3ADORA2AADORA1ADORA2BPRKAB2
SCHEMBL5212552 0.78 PRKAB2 (0.45) ADORA3ADORA2AADORA1ADORA2BPRKAB2
SCHEMBL5211998 0.78 ADORA3 (0.37) ADORA3ADORA2AADORA1ADORA2BPRKAB2
SCHEMBL5453371 0.78 ALOX5 (0.43) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL5210007 0.78 CDK4 (0.46) ADORA3ADORA2AADORA1ADORA2BPRKAB2
SCHEMBL5212439 0.73 MAPT (0.45) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL5209101 0.68 CDK4 (0.49)
SCHEMBL5212757 0.68 GAA (0.44) GAANPSR1MAPT
SCHEMBL5215553 0.67 CDK4 (0.43) ADORA3ADORA2AADORA1ADORA2BPRKAB2
SCHEMBL6105090 0.66 TP53 (0.47) ALDH1A1KDM4EGAAHPGDMEN1

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 4 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 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-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 ADORA3 249/4885ADORA2A 548/4885ADORA1 126/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 ADORA3 318/4885ADORA2A 756/4885ADORA1 120/4885

“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.