SCHEMBL22912752

SCHEMBL22912752

CCc1cc2cnc(CO)cc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.51
PARP2 Q9UGN5 7/20 0.48
PARP6 Q2NL67 3/20 0.48
PARP3 Q9Y6F1 3/20 0.48
TNKS O95271 1/20 0.48
KCNH2 Q12809 3/20 0.45
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
ALDH1A1 P00352 3/20 0.37
DAO P14920 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL29396271 1.00 PARP1 (0.51) PARP1PARP2PARP6PARP3TNKS
SCHEMBL22912749 0.85 PARP1 (0.48) PARP1PARP2PARP6PARP3TNKS
SCHEMBL29394090 0.85 PARP1 (0.48) PARP1PARP2PARP6PARP3TNKS
SCHEMBL30761017 0.83 BRD4 (0.44) PARP1PARP2PARP6PARP3TNKS
SCHEMBL14014046 0.80 GRIN2D (0.48) PARP1PARP2PARP6PARP3TNKS
SCHEMBL29396175 0.78 GRIN2D (0.43) PARP1PARP2PARP6PARP3TNKS
SCHEMBL22912751 0.78 GRIN2D (0.43) PARP1PARP2PARP6PARP3TNKS
SCHEMBL30634476 0.78 GRIN2D (0.45) PARP1PARP2PARP6PARP3TNKS
SCHEMBL30634477 0.78 PARP1 (0.50) PARP1PARP2PARP6PARP3TNKS
SCHEMBL30634480 0.77 PARP1 (0.42) 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
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 PARP1 399/4885PARP2 586/4885PARP6 600/4885
US-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR PARP12, PARP11, PARP1 PARP1 3/4885PARP2 8/4885PARP6 11/4885
US-11325906-B2 Chemical compounds CYP11B2, CYP11B1, CYP4B1 PARP1 399/4885PARP2 586/4885PARP6 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.