SCHEMBL21593643

SCHEMBL21593643

CC(C)(C)OC(=O)N1CC[C@@H](Nc2nc(Cl)ncc2C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.51
USP30 Q70CQ3 5/20 0.49
PIK3CD O00329 2/20 0.47
PIK3CA P42336 1/20 0.46
MERTK Q12866 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP1 P09874 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
SCHEMBL21593611 1.00 BTK (0.51) BTKUSP30PIK3CDPIK3CAMERTK
SCHEMBL21593682 0.94 ALDH1A1 (0.50) BTKUSP30PIK3CAMERTKMEN1
SCHEMBL21593692 0.88 SYK (0.49) BTKUSP30PIK3CDPIK3CAMERTK
SCHEMBL29218456 0.88 SYK (0.49) BTKUSP30PIK3CDPIK3CAMERTK
SCHEMBL30736383 0.88 SYK (0.49) BTKUSP30PIK3CDPIK3CAMERTK
SCHEMBL21593645 0.88 SYK (0.49) BTKUSP30PIK3CDPIK3CAMERTK
SCHEMBL30736359 0.88 SYK (0.49) BTKUSP30PIK3CDPIK3CAMERTK
SCHEMBL2127361 0.87 KMT2A (0.49) BTKUSP30PIK3CDPIK3CAKMT2A
SCHEMBL4001705 0.87 KMT2A (0.49) BTKUSP30PIK3CDPIK3CAKMT2A
SCHEMBL31664319 0.87 IGF1R (0.48) BTKUSP30PIK3CDPIK3CAADORA1

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 8 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
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 BTK 4192/4885USP30 4662/4885PIK3CD 2012/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB BTK 4211/4885USP30 4583/4885PIK3CD 1988/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB BTK 4192/4885USP30 4662/4885PIK3CD 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.