SCHEMBL22912684

SCHEMBL22912684

CCc1cc2ncc(CBr)cc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.52
PARP2 Q9UGN5 11/20 0.52
PARP6 Q2NL67 2/20 0.48
PARP3 Q9Y6F1 2/20 0.48
TNKS O95271 1/20 0.48
TIPARP Q7Z3E1 1/20 0.46

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
SCHEMBL29396473 1.00 PARP1 (0.52) PARP1PARP2PARP6PARP3TNKS
SCHEMBL25093486 0.89 PARP1 (0.55) PARP1PARP2PARP6PARP3TNKS
SCHEMBL30064375 0.88 PARP1 (0.53) PARP1PARP2PARP6PARP3TNKS
SCHEMBL22912763 0.85 PARP1 (0.52) PARP1PARP2PARP6PARP3TNKS
SCHEMBL22912682 0.85 PARP1 (0.52) PARP1PARP2PARP6PARP3TNKS
SCHEMBL29396334 0.85 PARP1 (0.52) PARP1PARP2PARP6PARP3TNKS
SCHEMBL29394532 0.85 PARP1 (0.52) PARP1PARP2PARP6PARP3TNKS
SCHEMBL25606984 0.85 PARP1 (0.52) PARP1PARP2PARP6PARP3TNKS
SCHEMBL25607880 0.84 PARP1 (0.49) PARP1PARP2PARP6PARP3TNKS
Hydrochloric Acid SCHEMBL28702467 0.84 PARP1 (0.51) PARP1PARP2PARP6PARP3TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2023088408-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF 成都百裕制药股份有限公司 2023-05-25 WO disclosed
WO-2022074617-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2022-04-14 WO 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 (1 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-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR PARP12, PARP11, PARP1 PARP1 3/4885PARP2 8/4885PARP6 11/4885

“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.