SCHEMBL17844767

SCHEMBL17844767

Cn1nccc1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
CTSK P43235 2/20 0.43
POLB P06746 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP17A1 P05093 2/20 0.42
ATR Q13535 1/20 0.42
HPGDS O60760 1/20 0.41
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
PSMB8 P28062 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NAMPT P43490 1/20 0.40
KDM4D Q6B0I6 1/20 0.39

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
SCHEMBL14116755 0.84 CYP17A1 (0.42) MAPK14CYP17A1ATRGSK3BDYRK1A
SCHEMBL14116754 0.81 ATR (0.43) MAPK14CYP17A1ATRGSK3BDYRK1A
SCHEMBL6292251 0.81 CYP17A1 (0.40) MAPK14CYP17A1ATRGSK3BDYRK1A
SCHEMBL17873733 0.80 CYP17A1 (0.39) MAPK14CYP17A1ATRGSK3BDYRK1A
SCHEMBL25007594 0.80 CTSK (0.51) KMT2ACTSKPOLBMAPK14HPGDS
SCHEMBL19373777 0.80 CYP17A1 (0.40) KMT2ACTSKMAPK14CYP17A1ATR
SCHEMBL23284005 0.79 KMT2A (0.50) KMT2ACTSKPOLBMAPK14HSP90AA1
SCHEMBL31437460 0.79 GSK3B (0.41) CTSKMAPK14CYP17A1ATRGSK3B
SCHEMBL27001165 0.78 KMT2A (0.53) KMT2ACTSKPOLBHPGDSHSP90AA1
SCHEMBL17837279 0.78 BRD4 (0.48) KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152014-B2 Therapeutic compounds and compositions eXlthera Pharmaceuticals, Inc. (US) 2024-11-26 US disclosed
US-20240059670-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2024-02-22 US disclosed
CN-112638917-B Heterocyclic compounds as kinase inhibitors, compositions comprising the same, and methods of use thereof 捷思英达控股有限公司 2023-09-08 CN disclosed
EP-4206199-A1 AROMATIC RING-LACTAM COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Ringene BioPharma Co., Ltd. (CN) 2023-07-05 EP disclosed
US-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
CN-112457326-B Aromatic heterocyclic lactam compound, preparation method and application 上海凌达生物医药有限公司 2022-02-15 CN disclosed
CN-110950876-B Furanolactam compounds, preparation method and application 上海凌达生物医药有限公司 2021-08-17 CN disclosed
US-20210188812-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2021-06-24 US disclosed
US-20210188812-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2021-06-24 US disclosed
CN-112638917-A Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compounds, and methods of use thereof 捷思英达控股有限公司 2021-04-09 CN disclosed
CN-112457326-A Aromatic heterocyclic lactam compound, preparation method and application 上海凌达生物医药有限公司 2021-03-09 CN disclosed
EP-3749662-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Exithera Pharmaceuticals Inc. (US) 2020-12-16 EP disclosed
CN-111902404-A Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2020-11-06 CN disclosed
CN-110950876-A Furanolactam compounds, preparation method and application 如东凌达生物医药科技有限公司 2020-04-03 CN disclosed
WO-2019156929-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2019-08-15 WO disclosed
WO-2019156929-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2019-08-15 WO disclosed
WO-2016095088-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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 (4 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-20240059670-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 KMT2A 874/4885CTSK 63/4885POLB 4497/4885
US-20210188812-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 KMT2A 874/4885CTSK 63/4885POLB 4497/4885
US-12152014-B2 Therapeutic compounds and compositions KLK5, KLK2, KLKB1 KMT2A 874/4885CTSK 63/4885POLB 4497/4885
US-11691962-B2 Therapeutic compounds and compositions KLK5, KLK2, KLKB1 KMT2A 874/4885CTSK 63/4885POLB 4497/4885

“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.