SCHEMBL6964340

SCHEMBL6964340

NC(=O)c1cccc2[nH]c(CN3CCc4ccccc4C3)nc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.53
PARP2 Q9UGN5 5/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6841114 0.85 PARP1 (0.48) PARP1PARP2
SCHEMBL6841873 0.77 PARP1 (0.62) PARP1PARP2
SCHEMBL1388106 0.76 DRD2 (0.71) KDM4EALDH1A1HSD17B10
SCHEMBL25022851 0.73 PARP1 (0.63) PARP1PARP2
SCHEMBL7200439 0.73 AURKA (0.57) PARP1
SCHEMBL23581692 0.72 PARP1 (0.66) PARP1
SCHEMBL6841122 0.72 PARP1 (0.61) PARP1PARP2
SCHEMBL7479562 0.71 PARP1 (0.56) PARP1KDM4E
SCHEMBL29412049 0.70 PARP1 (0.60) PARP1
SCHEMBL12385320 0.70 PARP1 (0.62) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase AGOURON PHARMACEUTICALS, INC. 2004-02-19 US 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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 PARP1 1/4885PARP2 3/4885KDM4E 2460/4885

“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.