SCHEMBL5210327

SCHEMBL5210327

Cc1ccoc1-c1nn2c(NC3CCCC3)cccc2c1-c1ccnc(NC2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.46
KDR P35968 3/20 0.42
EIF2AK2 P19525 2/20 0.42
CDK1 P06493 7/20 0.40
CCNB1 P14635 7/20 0.40
CDK2 P24941 4/20 0.40
CCND1 P24385 3/20 0.40
CCNA2 P20248 2/20 0.40
CCNA1 P78396 2/20 0.40
MAPK10 P53779 2/20 0.40
CCNB2 O95067 5/20 0.39
CCNB3 Q8WWL7 5/20 0.39
GSK3B P49841 3/20 0.39
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
MAPK8 P45983 2/20 0.37
MAPK14 Q16539 1/20 0.37
RET P07949 1/20 0.37
CCNE1 P24864 1/20 0.37
MAPK9 P45984 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
SCHEMBL5211736 0.99 CDK4 (0.48) CDK4KDREIF2AK2CDK1CCNB1
SCHEMBL5208393 0.96 CDK4 (0.50) CDK4KDREIF2AK2CDK1CCNB1
SCHEMBL5209192 0.90 CDK4 (0.46) CDK4KDREIF2AK2CDK1CCNB1
SCHEMBL5209101 0.88 CDK4 (0.49) CDK4KDREIF2AK2CDK1CCNB1
SCHEMBL14527408 0.86 RAB9A (0.35) CDK4CDK1CDK2CCND1CCNA2
SCHEMBL5213115 0.86 CDK4 (0.49) CDK4KDREIF2AK2CDK1CCNB1
SCHEMBL5208591 0.84 CDK4 (0.54) CDK4KDRCDK1CCNB1CDK2
SCHEMBL5212552 0.84 PRKAB2 (0.45) CDK4KDREIF2AK2CDK1CCNB1
SCHEMBL5210007 0.83 CDK4 (0.46) CDK4KDREIF2AK2CDK1CCNB1
SCHEMBL6107098 0.83 CDK4 (0.50) CDK4KDREIF2AK2CDK1CCNB1

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 2463/4885EIF2AK2 3337/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 CDK4 259/4885KDR 2386/4885EIF2AK2 3238/4885

“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.