SCHEMBL5212757

SCHEMBL5212757

Brc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CDK4 P11802 7/20 0.42
KDR P35968 3/20 0.40
MAPK10 P53779 1/20 0.40
GSK3B P49841 3/20 0.39
EIF2AK2 P19525 2/20 0.38
CDK2 P24941 5/20 0.38
CDK1 P06493 6/20 0.38
CCNB1 P14635 6/20 0.38
CCNB2 O95067 3/20 0.38
CCNB3 Q8WWL7 3/20 0.38
RET P07949 1/20 0.37
CCNE1 P24864 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
JAK2 O60674 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
SCHEMBL5209138 0.90 GAA (0.44) GAAMAPTNPSR1CDK4KDR
SCHEMBL5209101 0.86 CDK4 (0.49) CDK4KDRMAPK10GSK3BEIF2AK2
SCHEMBL5212552 0.86 PRKAB2 (0.45) CDK4KDRMAPK10GSK3BEIF2AK2
SCHEMBL5210007 0.85 CDK4 (0.46) CDK4KDRMAPK10GSK3BEIF2AK2
SCHEMBL6105092 0.83 CDK4 (0.43) CDK4KDRMAPK10GSK3BEIF2AK2
SCHEMBL6106982 0.83 TP53 (0.46) MAPTCDK4KDRMAPK10GSK3B
SCHEMBL6105435 0.83 MAPK10 (0.52) CDK4KDRMAPK10GSK3BCDK2
SCHEMBL6106623 0.83 TP53 (0.45) MAPTCDK4KDRMAPK10GSK3B
SCHEMBL6107167 0.83 TP53 (0.45) MAPTCDK4KDRMAPK10GSK3B
SCHEMBL5208591 0.82 CDK4 (0.54) 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 GAA 1319/4885MAPT 1616/4885NPSR1 708/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 GAA 1480/4885MAPT 1457/4885NPSR1 791/4885

“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.