SCHEMBL22912787

SCHEMBL22912787

CCc1nc2ccc(CO)cc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
PARP1 P09874 8/20 0.49
PARP6 Q2NL67 7/20 0.49
PARP2 Q9UGN5 7/20 0.49
PARP3 Q9Y6F1 6/20 0.49
TNKS O95271 4/20 0.49
CBFB Q13951 4/20 0.46
DAO P14920 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
EGFR P00533 2/20 0.44
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL29396632 1.00 KDM4E (0.59) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL29396388 0.89 PARP1 (0.51) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL22912723 0.89 PARP1 (0.51) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL22912736 0.85 KDM4E (0.59) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL29396277 0.85 KDM4E (0.59) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL22912799 0.83 PARP1 (0.51) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL29396728 0.83 PARP1 (0.51) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL15745613 0.82 CBFB (0.48) PARP1PARP6PARP2PARP3CBFB
SCHEMBL22912828 0.82 PARP1 (0.52) KDM4EPARP1PARP6PARP2PARP3
SCHEMBL22912784 0.82 PARP1 (0.52) KDM4EPARP1PARP6PARP2PARP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101892-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS AND USES THEREOF Astellas Engineered Small Molecules US, Incorporated (US) 2025-05-15 WO disclosed
US-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2023-11-23 US disclosed
WO-2023134647-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 优领医药科技(香港)有限公司 2023-07-20 WO disclosed
WO-2023134647-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 优领医药科技(香港)有限公司 2023-07-20 WO disclosed
CN-116425744-A Piperazine-containing ring derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof 优领医药科技(香港)有限公司 2023-07-14 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
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 (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-20210040084-A1 CHEMICAL COMPOUNDS CYP11B2, CYP11B1, CYP4B1 KDM4E 544/4885PARP1 399/4885PARP6 600/4885
US-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR PARP12, PARP11, PARP1 KDM4E 2263/4885PARP1 3/4885PARP6 11/4885
US-11325906-B2 Chemical compounds CYP11B2, CYP11B1, CYP4B1 KDM4E 544/4885PARP1 399/4885PARP6 600/4885

“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.