SCHEMBL20570346

SCHEMBL20570346

CC(C)(C)OC(=O)N1CCN(c2c(C#N)cnc3c(F)c(Br)c(Cl)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
EGFR P00533 3/20 0.40
GRM4 Q14833 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
RET P07949 5/20 0.40

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
SCHEMBL20571090 0.97 NR1H2 (0.43) NR1H2NR1H3SLC6A3KCNH2GPR119
SCHEMBL23985956 0.87 GPR119 (0.46) NR1H2NR1H3KCNH2GPR119EGFR
SCHEMBL26243059 0.87 MAP4K4 (0.40) NR1H2NR1H3SLC6A3GPR119EGFR
SCHEMBL24425025 0.87 MAP4K4 (0.40) NR1H2NR1H3SLC6A3GPR119EGFR
SCHEMBL25383219 0.86 SLC6A3 (0.41) SLC6A3GRM4SIGMAR1
SCHEMBL16636900 0.85 MAPK8 (0.39) NR1H2NR1H3KCNH2GPR119RET
SCHEMBL16636974 0.85 MAPK8 (0.39) NR1H2NR1H3KCNH2GPR119RET
SCHEMBL21136711 0.84 MAPK8 (0.41) NR1H2NR1H3KCNH2GPR119
SCHEMBL21136735 0.84 KCNH2 (0.47) KCNH2GPR119
SCHEMBL29876522 0.84 KCNH2 (0.49) NR1H2NR1H3KCNH2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406849-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2023-12-21 US disclosed
CN-113563323-B Benzothiazolyl biaryl compound, preparation method and application 上海凌达生物医药有限公司 2023-12-01 CN disclosed
CN-116867779-A KRAS inhibitors for cancer treatment 泰励生物科技(上海)有限公司 2023-10-10 CN disclosed
EP-4242207-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 EP disclosed
EP-4242207-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 EP disclosed
US-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE SHANGHAI RINGENE THERAPEUTICS CO. LTD (CN) 2023-06-08 US disclosed
US-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE SHANGHAI RINGENE THERAPEUTICS CO. LTD (CN) 2023-06-08 US disclosed
EP-4144732-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE Shanghai Ringene BioPharma Co., Ltd. (CN) 2023-03-08 EP disclosed
EP-4144732-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE Shanghai Ringene BioPharma Co., Ltd. (CN) 2023-03-08 EP disclosed
CN-114920738-A KRas inhibitors for cancer treatment 泰励生物科技(上海)有限公司 2022-08-19 CN disclosed
WO-2022095960-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS 泰励生物科技(上海)有限公司 2022-05-12 WO disclosed
WO-2021218110-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE 上海凌达生物医药有限公司 2021-11-04 WO disclosed
CN-113563323-A Benzothiazolyl biaryl compounds, preparation method and application 上海凌达生物医药有限公司 2021-10-29 CN disclosed
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer ARAXES PHARMA LLC (US) 2020-08-11 US disclosed
EP-3630746-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF CANCER Araxes Pharma LLC (US) 2020-04-08 EP disclosed
CN-110869357-A Compounds and methods of use thereof for treating cancer 亚瑞克西斯制药公司 2020-03-06 CN disclosed
WO-2018218071-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2018-11-29 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 (3 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-10736897-B2 Compounds and methods of use thereof for treatment of cancer KRAS, NRAS, HRAS NR1H2 2430/4885NR1H3 2387/4885SLC6A3 4231/4885
US-20230406849-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS KRAS, NRAS, HRAS NR1H2 2505/4885NR1H3 2645/4885SLC6A3 4808/4885
US-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE KRAS, NRAS, HRAS NR1H2 2047/4885NR1H3 1920/4885SLC6A3 1141/4885

“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.