SCHEMBL21591887

SCHEMBL21591887

Cn1c(=O)n([C@@H]2CCN(C(=O)O)C2)c2nc(Cl)ncc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 9/20 0.44
HSD11B1 P28845 1/20 0.43
MTOR P42345 10/20 0.42
PIK3CA P42336 7/20 0.41
KCNH2 Q12809 4/20 0.41
ATM Q13315 1/20 0.40
ATR Q13535 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
SCHEMBL28519123 1.00 PRKDC (0.44) PRKDCHSD11B1MTORPIK3CAKCNH2
SCHEMBL23452654 1.00 PRKDC (0.44) PRKDCHSD11B1MTORPIK3CAKCNH2
SCHEMBL23452640 0.87 PRKDC (0.38) PRKDCHSD11B1MTORPIK3CAKCNH2
SCHEMBL21593712 0.86 PRKDC (0.54) PRKDCMTORPIK3CAKCNH2ATM
SCHEMBL21593713 0.86 PIK3CA (0.47) PRKDCHSD11B1MTORPIK3CAATM
SCHEMBL21593726 0.86 PIK3CA (0.47) PRKDCHSD11B1MTORPIK3CAATM
SCHEMBL21593644 0.86 PIK3CA (0.47) PRKDCHSD11B1MTORPIK3CAATM
SCHEMBL28673031 0.83 PIK3CA (0.55) PRKDCMTORPIK3CAKCNH2ATM
SCHEMBL21593702 0.82 PRKDC (0.55) PRKDCMTORPIK3CAKCNH2
SCHEMBL21591893 0.81 PRKDC (0.41) PRKDCPIK3CAKCNH2ATM

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 6 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
US-11884671-B2 Purinone compounds and their use in treating cancer ASTRAZENECA AB (SE) 2024-01-30 US disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
EP-3807278-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2021-04-21 EP 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 PRKDC 274/4885HSD11B1 2010/4885MTOR 1844/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB PRKDC 337/4885HSD11B1 2220/4885MTOR 1496/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB PRKDC 274/4885HSD11B1 2010/4885MTOR 1844/4885

“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.