SCHEMBL5209101

SCHEMBL5209101

c1cc(NC2CCCC2)n2nc(-c3ccnc(NC4CCCC4)n3)c(-c3ccnc(NC4CCCC4)n3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.49
KDR P35968 3/20 0.47
GSK3B P49841 3/20 0.45
CDK2 P24941 5/20 0.44
MAPK10 P53779 2/20 0.44
EIF2AK2 P19525 2/20 0.44
CDK1 P06493 7/20 0.43
CCNB1 P14635 7/20 0.43
CCNB2 O95067 4/20 0.43
CCNB3 Q8WWL7 4/20 0.43
RET P07949 1/20 0.43
CCNE1 P24864 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
JAK2 O60674 1/20 0.43
MAP4K4 O95819 1/20 0.43
INSR P06213 1/20 0.43
CSF1R P07333 1/20 0.43

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
SCHEMBL5208591 0.95 CDK4 (0.54) CDK4KDRGSK3BCDK2MAPK10
SCHEMBL6105435 0.92 MAPK10 (0.52) CDK4KDRGSK3BCDK2MAPK10
SCHEMBL5212552 0.91 PRKAB2 (0.45) CDK4KDRGSK3BCDK2MAPK10
SCHEMBL5211093 0.91 CDK4 (0.46) CDK4KDRGSK3BCDK2MAPK10
SCHEMBL5210007 0.90 CDK4 (0.46) CDK4KDRGSK3BCDK2MAPK10
SCHEMBL6105760 0.90 MAPK10 (0.49) CDK4KDRGSK3BCDK2MAPK10
SCHEMBL5456838 0.89 CSNK1D (0.51) CDK4GSK3BMAPK10MAPK8MAPK9
SCHEMBL6105772 0.89 CDK4 (0.44) CDK4KDRGSK3BCDK2MAPK10
SCHEMBL5453367 0.89 IKBKB (0.49) CDK4KDRGSK3BMAPK10EIF2AK2
SCHEMBL5210327 0.88 CDK4 (0.46) CDK4KDRGSK3BCDK2MAPK10

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 CDK4 252/4885KDR 2463/4885GSK3B 3007/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 CDK4 259/4885KDR 2386/4885GSK3B 2956/4885

“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.