SCHEMBL21593598

SCHEMBL21593598

CC(C)(C)OC(=O)N1CC[C@@H](n2c(=O)[nH]c3cnc(Cl)nc32)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.44
HSD11B1 P28845 1/20 0.44
TNF P01375 2/20 0.42
LITAF Q99732 2/20 0.42
HCAR1 Q9BXC0 1/20 0.41
EGFR P00533 2/20 0.41
PIK3CD O00329 5/20 0.40
SRC P12931 2/20 0.40
USP30 Q70CQ3 1/20 0.40
HPGDS O60760 1/20 0.40
NR3C1 P04150 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
USP1 O94782 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
SCHEMBL21593650 1.00 PIK3CA (0.44) PIK3CAHSD11B1TNFLITAFHCAR1
SCHEMBL1693391 0.94 JAK2 (0.45) PIK3CAHSD11B1TNFLITAFHCAR1
SCHEMBL23452615 0.94 HCAR1 (0.44) HSD11B1TNFLITAFHCAR1HPGDS
SCHEMBL29501920 0.94 HCAR1 (0.44) HSD11B1TNFLITAFHCAR1HPGDS
SCHEMBL21593599 0.90 USP1 (0.40) PIK3CAHSD11B1PIK3CDHPGDSJAK2
SCHEMBL21593597 0.90 USP1 (0.40) PIK3CAHSD11B1PIK3CDHPGDSJAK2
SCHEMBL2636724 0.85 HSD11B1 (0.59) PIK3CAHSD11B1TNFLITAFHCAR1
SCHEMBL2636722 0.85 HSD11B1 (0.59) PIK3CAHSD11B1TNFLITAFHCAR1
SCHEMBL23476349 0.84 USP1 (0.39) PIK3CAHSD11B1PIK3CDUSP30JAK2
SCHEMBL23452656 0.84 JAK2 (0.43) HSD11B1JAK2JAK1JAK3PARP1

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 1179/4885HSD11B1 2010/4885TNF 3698/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB PIK3CA 1081/4885HSD11B1 2220/4885TNF 3492/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB PIK3CA 1179/4885HSD11B1 2010/4885TNF 3698/4885

“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.