SCHEMBL21593686

SCHEMBL21593686

Cn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2nc(Cl)ncc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.52
MTOR P42345 10/20 0.52
PRKDC P78527 6/20 0.52
ATM Q13315 2/20 0.45
ATR Q13535 2/20 0.45
TNF P01375 1/20 0.44
LITAF Q99732 1/20 0.44
NR3C1 P04150 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL21593726 0.94 PIK3CA (0.47) PIK3CAMTORPRKDCATMATR
SCHEMBL21593713 0.94 PIK3CA (0.47) PIK3CAMTORPRKDCATMATR
SCHEMBL21593644 0.94 PIK3CA (0.47) PIK3CAMTORPRKDCATMATR
SCHEMBL28673031 0.89 PIK3CA (0.55) PIK3CAMTORPRKDCATMATR
SCHEMBL21593712 0.85 PRKDC (0.54) PIK3CAMTORPRKDCATMATR
SCHEMBL29153725 0.85 PIK3CA (0.41) PIK3CAMTORPRKDCTNFLITAF
SCHEMBL29153724 0.85 PIK3CA (0.41) PIK3CAMTORPRKDCTNFLITAF
SCHEMBL21593718 0.85 PIK3CA (0.41) PIK3CAMTORPRKDCTNFLITAF
SCHEMBL30841637 0.84 PIK3CA (0.46) PIK3CAMTORPRKDCATMATR
SCHEMBL29492806 0.82 PIK3CA (0.62) PIK3CAMTORPRKDCATMATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2024-05-09 US disclosed
CN-117940437-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2024-04-26 CN disclosed
CN-112236431-B Purinone Compounds and Their Use in the Treatment of Cancer 阿斯利康(瑞典)有限公司 2024-02-13 CN disclosed
US-11884671-B2 Purinone compounds and their use in treating cancer ASTRAZENECA AB (SE) 2024-01-30 US disclosed
CN-114315834-B Imidazolone derivatives and their use in medicine 成都百裕制药股份有限公司 2024-01-05 CN disclosed
US-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2023-06-01 US disclosed
US-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2023-06-01 US disclosed
CN-113121538-B Furan derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-04-21 CN disclosed
WO-2023036156-A1 DNA-PK SELECTIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 首药控股(北京)股份有限公司 2023-03-16 WO disclosed
EP-4137491-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2023-02-22 EP disclosed
CN-114315834-A Imidazolidinone derivatives and their use in medicaments 成都百裕制药股份有限公司 2022-04-12 CN disclosed
WO-2021209055-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-10-21 WO disclosed
CN-113121573-A Purine derivatives and their use in medicine 成都百裕制药股份有限公司 2021-07-16 CN disclosed
CN-113121538-A Furan derivative and application thereof in medicine 成都百裕制药股份有限公司 2021-07-16 CN disclosed
WO-2021136462-A1 FURAN DERIVATIVES AND APPLICATION THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-07-08 WO disclosed
WO-2021136461-A1 PURINE DERIVATIVE AND MEDICAL USE THEREOF 成都百裕制药股份有限公司 2021-07-08 WO disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
CN-112236431-A Purinone compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2021-01-15 CN disclosed
WO-2019238929-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-12-19 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-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB PIK3CA 1179/4885MTOR 1844/4885PRKDC 274/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB PIK3CA 1081/4885MTOR 1496/4885PRKDC 337/4885
US-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF SYMPK, PAICS, CYP2C9 PIK3CA 238/4885MTOR 295/4885PRKDC 316/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB PIK3CA 1179/4885MTOR 1844/4885PRKDC 274/4885

“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.