SCHEMBL302333

SCHEMBL302333

CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CC5CCC(C4)N5)cn3)nc2n1C1CCCC1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.84
CDK2 P24941 1/20 0.84
CDK4 P11802 17/20 0.76

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
SCHEMBL30176563 1.00 CDK1 (0.84) CDK1CDK2CDK4
SCHEMBL1991612 0.92 CDK1 (0.84) CDK1CDK2CDK4
SCHEMBL30729672 0.91 CDK1 (1.00) CDK1CDK2CDK4
SCHEMBL1990541 0.91 CDK1 (1.00) CDK1CDK2CDK4
SCHEMBL29507468 0.90 CDK1 (0.68) CDK1CDK2CDK4
SCHEMBL22370082 0.90 CDK1 (0.75) CDK1CDK2CDK4
SCHEMBL2002825 0.88 CDK1 (0.80) CDK1CDK2CDK4
SCHEMBL1990001 0.87 CDK1 (0.81) CDK1CDK2CDK4
SCHEMBL30729670 0.87 CDK1 (0.86) CDK1CDK2CDK4
SCHEMBL1991137 0.87 CDK1 (0.86) CDK1CDK2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9416136-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2016-08-16 US claimed
US-20140135312-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LTD. (GB) 2014-05-15 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
US-20210253578-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LTD. (GB) 2021-08-19 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
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 (10 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 CDK1 8/4885CDK2 6/4885CDK4 1/4885
US-20260146042-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK9, CDK6, CDK7 CDK1 5/4885CDK2 9/4885CDK4 10/4885
US-20110152244-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK1 6/4885CDK2 7/4885CDK4 5/4885
US-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT CDK6, CDK4, CDK2 CDK1 17/4885CDK2 3/4885CDK4 2/4885
US-20170183352-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK1 6/4885CDK2 7/4885CDK4 5/4885
US-20240043428-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK1 6/4885CDK2 7/4885CDK4 5/4885
US-20180155351-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK1 6/4885CDK2 7/4885CDK4 5/4885
US-20210253578-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK1 6/4885CDK2 7/4885CDK4 5/4885
US-20100105653-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK1 6/4885CDK2 7/4885CDK4 5/4885
US-20140135312-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK1 6/4885CDK2 7/4885CDK4 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.