SCHEMBL22720588

SCHEMBL22720588

COC(=O)c1nc(O)c2c(n1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
NR1H2 P55055 2/20 0.43
ESR2 Q92731 1/20 0.42
ADORA1 P30542 2/20 0.41
MAPT P10636 3/20 0.41
MTOR P42345 2/20 0.41
KDM4E B2RXH2 1/20 0.39
GRAMD1A Q96CP6 1/20 0.37
F12 P00748 1/20 0.36
MKNK1 Q9BUB5 5/20 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
SCHEMBL23198514 0.88 PARP1 (0.47) PARP1TNKS2PARP2NR1H2ESR2
SCHEMBL29330189 0.83 PARP1 (0.46) PARP1TNKS2PARP2NR1H2ESR2
SCHEMBL30776241 0.83 PARP1 (0.47) PARP1TNKS2PARP2NR1H2ESR2
SCHEMBL13250465 0.83 PARP1 (0.47) PARP1TNKS2PARP2NR1H2ESR2
SCHEMBL30422040 0.82 PARP1 (0.44) PARP1TNKS2PARP2NR1H2ESR2
SCHEMBL16034353 0.82 PARP1 (0.45) PARP1TNKS2PARP2NR1H2ESR2
SCHEMBL3264705 0.81 ADORA1 (0.49) PARP1TNKS2PARP2NR1H2ESR2
SCHEMBL29329889 0.80 PARP1 (0.44) PARP1TNKS2PARP2NR1H2ESR2
SCHEMBL19616687 0.80 PARP1 (0.45) PARP1TNKS2PARP2NR1H2ESR2
SCHEMBL9951661 0.80 PARP1 (0.45) PARP1TNKS2PARP2NR1H2ESR2

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-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-12-16 US disclosed
US-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-07-07 US disclosed
US-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-07-07 US disclosed
EP-3978490-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-04-06 EP disclosed
CN-113423703-A Nitrogen-containing heterocyclic derivative regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-09-21 CN disclosed
WO-2020239077-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed
WO-2020239077-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2020-12-03 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 (2 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-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, GNAQ PARP1 3052/4885TNKS2 3301/4885PARP2 4022/4885
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers KRAS, NRAS, GNAQ PARP1 2318/4885TNKS2 3285/4885PARP2 3533/4885

“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.