SCHEMBL303542

SCHEMBL303542

CNC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.80
CCND1 P24385 16/20 0.80
CDK6 Q00534 12/20 0.80
CCND3 P30281 4/20 0.80
CDK2 P24941 3/20 0.80
CCNA2 P20248 2/20 0.80
GAK O14976 1/20 0.80
CCNT1 O60563 1/20 0.80
FECH P22830 1/20 0.80
CDK9 P50750 1/20 0.80
CDK16 Q00536 1/20 0.80
MAP3K1 Q13233 1/20 0.80
CAMK2G Q13555 1/20 0.80
CAMK2D Q13557 1/20 0.80
Q6ZSR9 Q6ZSR9 1/20 0.80
PRKD2 Q9BZL6 1/20 0.80
SIK2 Q9H0K1 1/20 0.80
CDK1 P06493 1/20 0.77
CCND2 P30279 3/20 0.73
CCNA1 P78396 1/20 0.72

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
SCHEMBL31121782 1.00 CDK4 (0.80) CDK4CCND1CDK6CCND3CDK2
SCHEMBL29507623 1.00 CDK4 (0.80) CDK4CCND1CDK6CCND3CDK2
Dimethylamine SCHEMBL28726027 0.92 CDK4 (0.80) CDK4CCND1CDK6CCND3CDK2
SCHEMBL23837859 0.91 CDK4 (0.83) CDK4CCND1CDK6CCND3CDK2
SCHEMBL29507453 0.91 CDK4 (0.81) CDK4CCND1CDK6CCND3CDK2
SCHEMBL2685016 0.91 CDK4 (0.81) CDK4CCND1CDK6CCND3CDK2
SCHEMBL2362403 0.90 CDK4 (0.76) CDK4CCND1CDK6CCND3CDK2
SCHEMBL20980374 0.90 CDK4 (0.68) CDK4CCND1CDK6CCND3CDK2
Ribociclib SCHEMBL302310 0.89 CDK4 (1.00) CDK4CCND1CDK6CCND3CDK2
Ribociclib SCHEMBL29384231 0.89 CDK4 (1.00) CDK4CCND1CDK6CCND3CDK2

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 50 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
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
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
US-20210253578-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LTD. (GB) 2021-08-19 US 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
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 (9 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 CDK4 1/4885CCND1 44/4885CDK6 2/4885
US-20260146042-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK9, CDK6, CDK7 CDK4 10/4885CCND1 57/4885CDK6 2/4885
US-20110152244-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK4 5/4885CCND1 46/4885CDK6 1/4885
US-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT CDK6, CDK4, CDK2 CDK4 2/4885CCND1 55/4885CDK6 1/4885
US-20170183352-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK4 5/4885CCND1 46/4885CDK6 1/4885
US-20240043428-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK4 5/4885CCND1 46/4885CDK6 1/4885
US-20180155351-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK4 5/4885CCND1 46/4885CDK6 1/4885
US-20210253578-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK4 5/4885CCND1 46/4885CDK6 1/4885
US-20100105653-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK6, CDK8, CDK7 CDK4 5/4885CCND1 46/4885CDK6 1/4885

“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.