SCHEMBL5213115

SCHEMBL5213115

Cc1ccoc1-c1nn2c(Cl)cccc2c1-c1ccnc(NC2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.49
KDR P35968 2/20 0.45
GSK3B P49841 5/20 0.40
CDK2 P24941 1/20 0.40
MAPK8 P45983 3/20 0.40
MAPK14 Q16539 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
IKBKB O14920 3/20 0.39
EIF2AK2 P19525 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
MAPK10 P53779 3/20 0.36
MAPK9 P45984 2/20 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
SCHEMBL5209192 0.96 CDK4 (0.46) CDK4KDRGSK3BCDK2MAPK8
SCHEMBL5208393 0.90 CDK4 (0.50) CDK4KDRGSK3BCDK2MAPK8
SCHEMBL5211736 0.87 CDK4 (0.48) CDK4KDRGSK3BCDK2MAPK8
SCHEMBL5210327 0.86 CDK4 (0.46) CDK4KDRGSK3BCDK2MAPK8
SCHEMBL5208902 0.84 CDK4 (0.48) CDK4KDRGSK3BCDK2MAPK8
SCHEMBL5215553 0.80 CDK4 (0.43) CDK4KDRGSK3BCDK2MAPK8
SCHEMBL5459543 0.80 MAPK14 (0.54) CDK4KDRGSK3BMAPK8MAPK14
SCHEMBL6105383 0.80 GSK3B (0.50) CDK4KDRGSK3BCDK2MAPK8
SCHEMBL6106143 0.79 CDK4 (0.48) CDK4KDRGSK3BCDK2MAPK8
SCHEMBL6105790 0.79 CDK4 (0.46) CDK4KDRGSK3BCDK2MAPK8

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 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.