SCHEMBL21593713

SCHEMBL21593713

Cn1c(=O)n([C@H]2CCN(C(=O)OC(C)(C)C)C2)c2nc(Cl)ncc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.47
MTOR P42345 3/20 0.47
PRKDC P78527 1/20 0.47
HSD11B1 P28845 1/20 0.46
TNF P01375 3/20 0.45
LITAF Q99732 3/20 0.45
PIK3CD O00329 7/20 0.43
EGFR P00533 2/20 0.42
SRC P12931 2/20 0.40
ATM Q13315 1/20 0.40
ATR Q13535 1/20 0.40
USP30 Q70CQ3 2/20 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
SCHEMBL21593644 1.00 PIK3CA (0.47) PIK3CAMTORPRKDCHSD11B1TNF
SCHEMBL21593726 1.00 PIK3CA (0.47) PIK3CAMTORPRKDCHSD11B1TNF
SCHEMBL21593686 0.94 PIK3CA (0.52) PIK3CAMTORPRKDCTNFLITAF
SCHEMBL29153725 0.89 PIK3CA (0.41) PIK3CAMTORPRKDCTNFLITAF
SCHEMBL29153724 0.89 PIK3CA (0.41) PIK3CAMTORPRKDCTNFLITAF
SCHEMBL21593718 0.89 PIK3CA (0.41) PIK3CAMTORPRKDCTNFLITAF
SCHEMBL23452654 0.86 PRKDC (0.44) PIK3CAMTORPRKDCHSD11B1ATM
SCHEMBL28519123 0.86 PRKDC (0.44) PIK3CAMTORPRKDCHSD11B1ATM
SCHEMBL21591887 0.86 PRKDC (0.44) PIK3CAMTORPRKDCHSD11B1ATM
SCHEMBL2636985 0.84 HSD11B1 (0.62) PIK3CAMTORPRKDCHSD11B1TNF

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 7 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
EP-3807278-B1 PURINONE DERIVATIVES AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-08-31 EP 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 (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-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-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.