SCHEMBL305495

SCHEMBL305495

CC1CN(c2ccc(Nc3ncc4cc(C#N)n(C5CCCC5)c4n3)nc2)CCN1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.72
CDK1 P06493 1/20 0.72
CDK4 P11802 19/20 0.63
CDK6 Q00534 3/20 0.61
CCND1 P24385 12/20 0.60
CCND2 P30279 6/20 0.60
CCND3 P30281 6/20 0.60
CCNA2 P20248 4/20 0.60
CCNA1 P78396 2/20 0.60
FGFR1 P11362 4/20 0.59
FGFR2 P21802 4/20 0.59
FGFR4 P22455 4/20 0.59
FGFR3 P22607 4/20 0.59

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
SCHEMBL1995714 0.90 CDK2 (0.77) CDK2CDK1CDK4CDK6CCND1
SCHEMBL29507745 0.89 CDK4 (0.65) CDK2CDK1CDK4CDK6CCND1
SCHEMBL22860561 0.89 CDK4 (0.65) CDK2CDK1CDK4CDK6CCND1
SCHEMBL1990685 0.87 CDK2 (0.73) CDK2CDK1CDK4CDK6CCND1
SCHEMBL29507481 0.84 CDK4 (0.69) CDK2CDK1CDK4CDK6CCND1
SCHEMBL29507480 0.84 CDK4 (0.69) CDK2CDK1CDK4CDK6CCND1
SCHEMBL29507471 0.84 CDK4 (0.69) CDK2CDK1CDK4CDK6CCND1
SCHEMBL303554 0.84 CDK2 (1.00) CDK2CDK1CDK4CDK6CCND1
SCHEMBL29507585 0.84 CDK2 (1.00) CDK2CDK1CDK4CDK6CCND1
SCHEMBL15899887 0.83 CDK2 (0.67) CDK2CDK1CDK4CDK6CCND1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114245753-A Combination of an anti-HER 2 antibody and a CDK inhibitor for tumor therapy 江苏康宁杰瑞生物制药有限公司 2022-03-25 CN claimed
US-20180155351-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-06-07 US claimed
US-20170183352-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2017-06-29 US claimed
EP-2558092-A1 COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR AND AN MTOR INHIBITOR FOR TREATING CANCER Novartis AG (CH) 2013-02-20 EP claimed
US-20130035336-A1 COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR FOR TREATING CANCER NOVARTIS AG (CH) 2013-02-07 US claimed
JP-2012500785-A 2012-01-12 JP claimed
WO-2011130232-A1 COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR AND AN MTOR INHIBITOR FOR TREATING CANCER NOVARTIS AG (CH) 2011-10-20 WO claimed
US-20110152244-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2011-06-23 US claimed
EP-2331547-A1 PYRROLOPYRIMIDINE COMPOUNDS AS CDK INHIBITORS Novartis AG (CH) 2011-06-15 EP claimed
US-20100105653-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG 2010-04-29 US claimed
WO-2010020675-A1 PYRROLOPYRIMIDINE COMPOUNDS AS CDK INHIBITORS NOVARTIS AG (CH) 2010-02-25 WO claimed
US-20260146042-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2026-05-28 US disclosed
US-20240043428-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LTD. (GB) 2024-02-08 US disclosed
US-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT JIANGSU ALPHAMAB BIOPHARMACEUTICALS CO., LTD. (CN) 2023-04-20 US disclosed
CN-114245753-A Combination of an anti-HER 2 antibody and a CDK inhibitor for tumor therapy 江苏康宁杰瑞生物制药有限公司 2022-03-25 CN disclosed
EP-2331547-A1 PYRROLOPYRIMIDINE COMPOUNDS AS CDK INHIBITORS Novartis AG (CH) 2011-06-15 EP disclosed
US-20100105653-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG 2010-04-29 US disclosed
US-20100105653-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG 2010-04-29 US disclosed
US-20100105653-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG 2010-04-29 US disclosed
WO-2010020675-A1 PYRROLOPYRIMIDINE COMPOUNDS AS CDK INHIBITORS NOVARTIS AG (CH) 2010-02-25 WO 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 (8 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-20130035336-A1 COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR FOR TREATING CANCER CDK4, CDK6, CDK8 CDK2 6/4885CDK1 8/4885CDK4 1/4885
US-20260146042-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK9, CDK6, CDK7 CDK2 9/4885CDK1 5/4885CDK4 10/4885
US-20110152244-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK2 7/4885CDK1 6/4885CDK4 5/4885
US-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT CDK6, CDK4, CDK2 CDK2 3/4885CDK1 17/4885CDK4 2/4885
US-20170183352-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK2 7/4885CDK1 6/4885CDK4 5/4885
US-20240043428-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK2 7/4885CDK1 6/4885CDK4 5/4885
US-20180155351-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK2 7/4885CDK1 6/4885CDK4 5/4885
US-20100105653-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK2 7/4885CDK1 6/4885CDK4 5/4885

“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.