SCHEMBL21591874

SCHEMBL21591874

Cn1c(=O)n([C@@H]2CCOC2)c2nc(Cl)ncc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 19/20 0.53
TTK P33981 4/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PIK3CA P42336 2/20 0.46
KCNH2 Q12809 1/20 0.46
PIK3CD O00329 1/20 0.46
CSF1R P07333 1/20 0.46
PIK3R1 P27986 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL29501888 1.00 PRKDC (0.53) PRKDCTTKJAK2JAK3PIK3CA
SCHEMBL20299437 1.00 PRKDC (0.53) PRKDCTTKJAK2JAK3PIK3CA
SCHEMBL29501998 1.00 PRKDC (0.53) PRKDCTTKJAK2JAK3PIK3CA
SCHEMBL20299418 1.00 PRKDC (0.53) PRKDCTTKJAK2JAK3PIK3CA
SCHEMBL20299347 0.93 PRKDC (0.54) PRKDCTTKPIK3CAKCNH2MTOR
SCHEMBL20299390 0.93 PRKDC (0.54) PRKDCTTKPIK3CAKCNH2MTOR
SCHEMBL1694033 0.93 PRKDC (0.54) PRKDCTTKPIK3CAKCNH2MTOR
SCHEMBL1694035 0.93 PRKDC (0.56) PRKDCTTKJAK2JAK3PIK3CA
SCHEMBL21593700 0.90 PRKDC (0.43) PRKDCTTKJAK2JAK3PIK3CA
SCHEMBL25057392 0.85 TNF (0.42) PRKDCTTKJAK2JAK3PIK3CA

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 13 patents. 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-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
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
EP-3807278-B1 PURINONE DERIVATIVES AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-08-31 EP 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
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
EP-3807278-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2021-04-21 EP 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
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 PRKDC 274/4885TTK 2087/4885JAK2 1204/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB PRKDC 337/4885TTK 1404/4885JAK2 880/4885
US-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF SYMPK, PAICS, CYP2C9 PRKDC 316/4885TTK 1365/4885JAK2 537/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB PRKDC 274/4885TTK 2087/4885JAK2 1204/4885

“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.