Sugi Predict

Sugi Predict / Compounds / SCHEMBL22912708

SCHEMBL22912708

SCHEMBL22912708

CNC(=O)c1ccc(N2CCNCC2)c(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.49
▸ PARP6 Q2NL67 4/20 0.49
▸ PARP2 Q9UGN5 4/20 0.49
▸ PARP3 Q9Y6F1 4/20 0.49
▸ KCNH2 Q12809 2/20 0.49
▸ TNKS O95271 2/20 0.49
▸ USP28 Q96RU2 5/20 0.42
▸ USP25 Q9UHP3 4/20 0.42
▸ CHEK1 O14757 4/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ ADRB1 P08588 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
SCHEMBL29396740 1.00 PARP1 (0.49) PARP1PARP6PARP2PARP3KCNH2
Hydrochloric Acid SCHEMBL26596749 0.99 PARP1 (0.48) PARP1PARP6PARP2PARP3KCNH2
SCHEMBL31159500 0.91 PARP1 (0.43) PARP1PARP6PARP2PARP3KCNH2
SCHEMBL29203525 0.86 HSP90AA1 (0.47) PARP1PARP6PARP2PARP3KCNH2
SCHEMBL22912735 0.85 PARP1 (0.48) PARP1PARP6PARP2PARP3TNKS
SCHEMBL29394098 0.85 PARP1 (0.48) PARP1PARP6PARP2PARP3TNKS
Hydrochloric Acid SCHEMBL31552852 0.85 HSP90AA1 (0.47) PARP1PARP6PARP2PARP3KCNH2
Hydrochloric Acid SCHEMBL25236649 0.84 PARP1 (0.48) PARP1PARP6PARP2PARP3TNKS
SCHEMBL22912710 0.84 KDM4E (0.44) CHEK1BACE1ADRB1
SCHEMBL22912765 0.84 PARP1 (0.51) PARP1PARP6PARP2PARP3KCNH2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317793-A Methods for treating brain tumors and neuroblastomas 阿斯利康(瑞典)有限公司 2024-07-09 — — CN disclosed
CN-117980307-A Substituted tricyclic compounds as PARP inhibitors and application thereof 上海瑛派药业有限公司 2024-05-03 — — CN disclosed
CN-117653636-B Anticancer medicine containing condensed bicyclo compound and pharmaceutical use of the compound 上海瑛派药业有限公司 2024-04-26 — — CN disclosed
CN-117653636-A Anticancer medicine containing condensed bicyclo compound and pharmaceutical use of the compound 上海瑛派药业有限公司 2024-03-08 — — CN disclosed
US-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2023-11-23 — — US disclosed
US-20230348473-A1 SUBSTITUTED PYRIDINES AS PARP1 INHIBITORS XINTHERA, INC. 2023-11-02 — — US disclosed
US-20230348473-A1 SUBSTITUTED PYRIDINES AS PARP1 INHIBITORS XINTHERA, INC. 2023-11-02 — — US disclosed
WO-2023212219-A1 TRICYCLIC PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. (US) 2023-11-02 — — WO disclosed
US-11795173-B1 Substituted pyridines as PARP1 inhibitors XINTHERA, INC. (US) 2023-10-24 — — US disclosed
US-11795158-B2 Chemical compounds ASTRAZENECA AB (SE) 2023-10-24 — — US disclosed
CN-116348115-A Combination of antibody-drug conjugate and PARP1 selective inhibitor 阿斯利康(英国)有限公司 2023-06-27 — — CN disclosed
WO-2023096915-A1 MULTICYCLIC COMPOUNDS SLAP PHARMACEUTICALS LLC (US) 2023-06-01 — — WO disclosed
CN-115768760-A Quinoxaline derivatives as anti-cancer agents 阿斯利康(瑞典)有限公司 2023-03-07 — — CN disclosed
US-11325906-B2 Chemical compounds ASTRAZENECA AB (SE) 2022-05-10 — — US disclosed
WO-2022074617-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2022-04-14 — — WO disclosed
CN-114144413-A PARP1 inhibitors 阿斯利康(瑞典)有限公司 2022-03-04 — — CN disclosed
US-20220009901-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2022-01-13 — — US disclosed
WO-2021260092-A1 QUINOXALINE DERIVATIVES AS ANTI-CANCER DRUGS ASTRAZENECA AB (SE) 2021-12-30 — — WO disclosed
US-20210040084-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2021-02-11 — — US disclosed
WO-2021013735-A1 PARP1 INHIBITORS ASTRAZENECA AB (SE) 2021-01-28 — — 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 (7 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-20230348473-A1 SUBSTITUTED PYRIDINES AS PARP1 INHIBITORS PARP1, PARP11, PARP12 PARP1 1/4885PARP6 11/4885PARP2 8/4885
US-20210040084-A1 CHEMICAL COMPOUNDS CYP11B2, CYP11B1, CYP4B1 PARP1 399/4885PARP6 600/4885PARP2 586/4885
US-11795158-B2 Chemical compounds CYP11B2, CYP11B1, CYP4B1 PARP1 399/4885PARP6 600/4885PARP2 586/4885
US-20220009901-A1 CHEMICAL COMPOUNDS CYP11B2, CYP11B1, CYP4B1 PARP1 399/4885PARP6 600/4885PARP2 586/4885
US-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR PARP12, PARP11, PARP1 PARP1 3/4885PARP6 11/4885PARP2 8/4885
US-11795173-B1 Substituted pyridines as PARP1 inhibitors PARP1, PARP11, PARP12 PARP1 1/4885PARP6 11/4885PARP2 7/4885
US-11325906-B2 Chemical compounds CYP11B2, CYP11B1, CYP4B1 PARP1 399/4885PARP6 600/4885PARP2 586/4885

“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.