SCHEMBL21593692

SCHEMBL21593692

CCOC(=O)c1cnc(Cl)nc1N[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.49
NPSR1 Q6W5P4 4/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MERTK Q12866 1/20 0.46
BTK Q06187 1/20 0.46
MAPT P10636 2/20 0.44
NR2F2 P24468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
PIK3CD O00329 2/20 0.44
GPR119 Q8TDV5 1/20 0.44
NPC1 O15118 1/20 0.44
S1PR2 O95136 1/20 0.44

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
SCHEMBL30736383 1.00 SYK (0.49) SYKNPSR1LMNAMEN1ALDH1A1
SCHEMBL21593645 1.00 SYK (0.49) SYKNPSR1LMNAMEN1ALDH1A1
SCHEMBL29218456 1.00 SYK (0.49) SYKNPSR1LMNAMEN1ALDH1A1
SCHEMBL30736359 1.00 SYK (0.49) SYKNPSR1LMNAMEN1ALDH1A1
SCHEMBL17764673 0.95 JAK3 (0.48) SYKNPSR1LMNAMEN1ALDH1A1
SCHEMBL29218455 0.95 JAK3 (0.48) SYKNPSR1LMNAMEN1ALDH1A1
SCHEMBL29218454 0.95 JAK3 (0.48) SYKNPSR1LMNAMEN1ALDH1A1
SCHEMBL21591871 0.94 ALDH1A1 (0.51) SYKNPSR1LMNAMEN1ALDH1A1
SCHEMBL29501996 0.94 ALDH1A1 (0.51) SYKNPSR1LMNAMEN1ALDH1A1
SCHEMBL21591923 0.88 SYK (0.47) SYKNPSR1LMNAMEN1ALDH1A1

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 SYK 4514/4885NPSR1 3339/4885LMNA 591/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB SYK 4420/4885NPSR1 3102/4885LMNA 683/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB SYK 4514/4885NPSR1 3339/4885LMNA 591/4885

“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.