SCHEMBL21593597

SCHEMBL21593597

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.40
HSD11B1 P28845 1/20 0.38
PIK3CD O00329 7/20 0.38
HPGDS O60760 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
PIK3CA P42336 3/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
GPR119 Q8TDV5 4/20 0.36
PREP P48147 1/20 0.36
PIK3R1 P27986 2/20 0.36

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
SCHEMBL21593599 1.00 USP1 (0.40) USP1HSD11B1PIK3CDHPGDSJAK2
SCHEMBL23476349 0.92 USP1 (0.39) USP1HSD11B1PIK3CDJAK2JAK1
SCHEMBL21593650 0.90 PIK3CA (0.44) USP1HSD11B1PIK3CDHPGDSJAK2
SCHEMBL21593598 0.90 PIK3CA (0.44) USP1HSD11B1PIK3CDHPGDSJAK2
SCHEMBL1693391 0.86 JAK2 (0.45) HSD11B1PIK3CDHPGDSJAK2JAK1
SCHEMBL23452615 0.86 HCAR1 (0.44) USP1HSD11B1HPGDSGPR119
SCHEMBL23452659 0.86 JAK2 (0.37) USP1HSD11B1JAK2JAK1JAK3
SCHEMBL29501920 0.86 HCAR1 (0.44) USP1HSD11B1HPGDSGPR119
SCHEMBL21593718 0.82 PIK3CA (0.41) PIK3CDPIK3CAGPR119PREP
SCHEMBL29153724 0.82 PIK3CA (0.41) PIK3CDPIK3CAGPR119PREP

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
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US 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 USP1 4340/4885HSD11B1 2010/4885PIK3CD 2012/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB USP1 4399/4885HSD11B1 2220/4885PIK3CD 1988/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB USP1 4340/4885HSD11B1 2010/4885PIK3CD 2012/4885

“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.