SCHEMBL22912784

SCHEMBL22912784

O=c1[nH]c2cc(CO)ccc2nc1CC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.52
PARP2 Q9UGN5 7/20 0.52
TNKS O95271 3/20 0.49
KCNH2 Q12809 3/20 0.49
CBFB Q13951 5/20 0.43
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EGFR P00533 2/20 0.39
PARP6 Q2NL67 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL29396356 1.00 PARP1 (0.52) PARP1PARP2TNKSKCNH2CBFB
SCHEMBL29394549 0.86 PARP1 (0.47) PARP1PARP2TNKSKCNH2ALDH1A1
SCHEMBL26687928 0.86 PARP1 (0.47) PARP1PARP2TNKSKCNH2ALDH1A1
SCHEMBL25093761 0.86 PARP1 (0.49) PARP1PARP2TNKSKCNH2ALDH1A1
SCHEMBL22912799 0.82 PARP1 (0.51) PARP1PARP2TNKSKCNH2CBFB
SCHEMBL29396728 0.82 PARP1 (0.51) PARP1PARP2TNKSKCNH2CBFB
SCHEMBL22912787 0.82 KDM4E (0.59) PARP1PARP2TNKSCBFBALDH1A1
SCHEMBL29396632 0.82 KDM4E (0.59) PARP1PARP2TNKSCBFBALDH1A1
SCHEMBL22912828 0.81 PARP1 (0.52) PARP1PARP2TNKSKCNH2CBFB
SCHEMBL29394595 0.81 PARP1 (0.52) PARP1PARP2TNKSKCNH2CBFB

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-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR ASTRAZENECA UK LIMITED (GB) 2023-11-23 US disclosed
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
CN-114144413-A PARP1 inhibitors 阿斯利康(瑞典)有限公司 2022-03-04 CN 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 586/4885TNKS 1636/4885
US-20230372527-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE AND PARP1 SELECTIVE INHIBITOR PARP12, PARP11, PARP1 PARP1 3/4885PARP2 8/4885TNKS 17/4885
US-11325906-B2 Chemical compounds CYP11B2, CYP11B1, CYP4B1 PARP1 399/4885PARP2 586/4885TNKS 1636/4885

“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.