SCHEMBL2424959

SCHEMBL2424959

CNS(=O)(=O)N1CCC(N)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.33
CDK2 P24941 10/20 0.33
CCND1 P24385 7/20 0.33
CDK6 Q00534 7/20 0.33
TP53 P04637 1/20 0.32
SMYD3 Q9H7B4 1/20 0.30

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
Hydrochloric Acid SCHEMBL31722161 0.98 GNAI3 (0.32) CCNE1CDK2CCND1CDK6TP53
SCHEMBL24890440 0.88 PDK1 (0.33) TP53
SCHEMBL12765361 0.88 PDK1 (0.33) TP53
SCHEMBL14971519 0.80 MEN1 (0.44)
SCHEMBL12765367 0.78 MAPK1 (0.40) CCNE1CDK2CCND1CDK6TP53
SCHEMBL12765346 0.78
SCHEMBL2430641 0.78 SMYD3 (0.33) TP53SMYD3
SCHEMBL16977907 0.78 NCF1 (0.47) CCNE1CDK2CCND1CDK6TP53
SCHEMBL26343648 0.78 TP53 (0.37) TP53SMYD3
SCHEMBL2428229 0.78 GNAI3 (0.34) TP53SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394966-B Pyridopyrimidinone CDK2/4/6 inhibitors 辉瑞公司 2024-10-11 CN disclosed
US-20230303564-A1 PYRIMIDINE RING COMPOUND Zhejiang Yangli Pharmaceutical Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20230303564-A1 PYRIMIDINE RING COMPOUND Zhejiang Yangli Pharmaceutical Technology Co., Ltd. (CN) 2023-09-28 US disclosed
CN-116601155-A Heteroaryl quinazoline compounds as protein kinase inhibitors 成都赛璟生物医药科技有限公司 2023-08-15 CN disclosed
US-20220324872-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2022-10-13 US disclosed
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 US disclosed
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 US disclosed
WO-2022111634-A1 HETEROARYLQUINAZOLINE COMPOUNDS AS PROTEIN KINASE INHIBITORS 成都赛璟生物医药科技有限公司 2022-06-02 WO disclosed
EP-3497103-B1 PYRIDOPYRIMDINONE CDK2/4/6 INHIBITORS PFIZER (US) 2021-05-05 EP disclosed
US-20200392142-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2020-12-17 US disclosed
US-10233188-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2019-03-19 US disclosed
WO-2018033815-A1 PYRIDOPYRIMDINONE CDK2/4/6 INHIBITORS PFIZER INC. (US) 2018-02-22 WO disclosed
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 US disclosed
US-20180044344-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2018-02-15 US disclosed
CN-102171204-B 8-substituted isoquinoline derivative and application thereof ASAHI KASEI PHARMA CORP 2014-08-20 CN disclosed
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
CN-102171204-A 8-substituted isoquinoline derivative and application thereof ASAHI KASEI PHARMA CORP 2011-08-31 CN disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 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 (7 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-20220324872-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885
US-20230303564-A1 PYRIMIDINE RING COMPOUND DPYD, TYMS, TYMP CCNE1 1815/4885CDK2 165/4885CCND1 1592/4885
US-20200392142-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CCNE1 28/4885CDK2 1/4885CCND1 39/4885
US-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885
US-20180044344-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 CCNE1 580/4885CDK2 193/4885CCND1 623/4885
US-10233188-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CCNE1 29/4885CDK2 1/4885CCND1 40/4885

“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.