SCHEMBL22912751

SCHEMBL22912751

CCc1cc2cnc(Br)cc2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
PARP1 P09874 8/20 0.42
PARP2 Q9UGN5 6/20 0.40
PARP6 Q2NL67 3/20 0.40
PARP3 Q9Y6F1 3/20 0.40
KCNH2 Q12809 2/20 0.39
TNKS O95271 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 3/20 0.37
HPGD P15428 3/20 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
SCHEMBL29396175 1.00 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14014046 0.82 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30634489 0.82 PARP1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22912749 0.81 PARP1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29394090 0.81 PARP1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30634476 0.81 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25093494 0.78 PARP1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22912750 0.78 PARP1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14014049 0.78 PARP1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22912752 0.78 PARP1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 3 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-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 GRIN2D 3224/4885GRIN3B 2068/4885GRIN1 2144/4885

“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.