SCHEMBL21593700

SCHEMBL21593700

Cn1c(=O)n(C2COC2)c2nc(Cl)ncc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 18/20 0.43
TTK P33981 4/20 0.41
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
ATM Q13315 2/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
KCNH2 Q12809 1/20 0.40
PIK3CD O00329 1/20 0.40
CSF1R P07333 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 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
SCHEMBL20299418 0.90 PRKDC (0.53) PRKDCTTKPIK3CAMTORATM
SCHEMBL29501888 0.90 PRKDC (0.53) PRKDCTTKPIK3CAMTORATM
SCHEMBL29501998 0.90 PRKDC (0.53) PRKDCTTKPIK3CAMTORATM
SCHEMBL28712893 0.90 PRKDC (0.42) PRKDCTTKPIK3CAMTORATM
SCHEMBL21591874 0.90 PRKDC (0.53) PRKDCTTKPIK3CAMTORATM
SCHEMBL23948573 0.90 PRKDC (0.42) PRKDCTTKPIK3CAMTORATM
SCHEMBL20299437 0.90 PRKDC (0.53) PRKDCTTKPIK3CAMTORATM
SCHEMBL20299390 0.88 PRKDC (0.54) PRKDCTTKPIK3CAMTORATM
SCHEMBL1694033 0.88 PRKDC (0.54) PRKDCTTKPIK3CAMTORATM
SCHEMBL20299347 0.88 PRKDC (0.54) PRKDCTTKPIK3CAMTORATM

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 US disclosed
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
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
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO 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 (4 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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 PRKDC 2502/4885TTK 3772/4885PIK3CA 1017/4885
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB PRKDC 274/4885TTK 2087/4885PIK3CA 1179/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB PRKDC 337/4885TTK 1404/4885PIK3CA 1081/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB PRKDC 274/4885TTK 2087/4885PIK3CA 1179/4885

“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.