SCHEMBL5210329

SCHEMBL5210329

c1ccc(CNc2nccc(-c3nn4c(NCc5ccccc5)cccc4c3-c3ccnc(NCc4ccccc4)n3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.44
GSK3B P49841 6/20 0.40
CDK2 P24941 2/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MAPK14 Q16539 3/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
CDK4 P11802 1/20 0.40
EIF2AK2 P19525 1/20 0.39
CDC7 O00311 1/20 0.39
RAF1 P04049 1/20 0.37
MAPK9 P45984 1/20 0.37
FLT3 P36888 1/20 0.37
DGAT1 O75907 1/20 0.37
PLK1 P53350 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
KCNN1 Q92952 1/20 0.36
KCNN2 Q9H2S1 1/20 0.36

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
SCHEMBL5210068 0.81 HRH4 (0.40) GSK3BCDK2CDK4CDC7MAPK9
SCHEMBL6106207 0.81 GSK3B (0.40) GSK3BCDK2MKNK1MAPK14MAPK13
SCHEMBL5210816 0.80 HRH4 (0.41) GSK3BCDK2CDK4EIF2AK2FLT3
SCHEMBL5208309 0.79 MKNK1 (0.46) GSK3BCDK2MKNK1MAPK14MAPK13
Pyridine SCHEMBL5210420 0.79 HRH4 (0.36) GSK3BCDK2MKNK1CDK4CDC7
SCHEMBL6107018 0.75 GSK3B (0.44) GSK3BCDK2
SCHEMBL5210551 0.74 MAPK9 (0.49) LCKGSK3BCDK2MAPK14MAPK13
SCHEMBL5875554 0.74 GSK3B (0.48) GSK3BCDK2MKNK1MAPK14MAPK13
SCHEMBL5208591 0.74 CDK4 (0.54) GSK3BCDK2MAPK14CDK4MAPK9
SCHEMBL5875691 0.73 MAPK14 (0.61) GSK3BMKNK1MAPK14MAPK13MAPK12

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
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
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 LCK 1145/4885GSK3B 3007/4885CDK2 625/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 LCK 1007/4885GSK3B 2956/4885CDK2 680/4885

“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.