SCHEMBL6842034

SCHEMBL6842034

CCCCNCCSCc1nc2c(C(N)=O)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.50
RIPK1 Q13546 1/20 0.46
AURKB Q96GD4 2/20 0.43
PARP2 Q9UGN5 1/20 0.43
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PIM1 P11309 1/20 0.43
GSK3A P49840 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PRKCD Q05655 1/20 0.43
DYRK1A Q13627 1/20 0.43
PIM3 Q86V86 1/20 0.43
BRSK1 Q8TDC3 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
AURKA O14965 1/20 0.43

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
SCHEMBL6836856 0.87 PARP1 (0.51) PARP1AURKBPARP2AURKA
SCHEMBL6843638 0.80 PARP1 (0.49) PARP1RIPK1AURKBPARP2PRKD3
SCHEMBL461964 0.77 PARP1 (0.58) PARP1PARP2
SCHEMBL12385320 0.76 PARP1 (0.62) PARP1AURKBPARP2PRKD3PIM1
SCHEMBL23581692 0.75 PARP1 (0.66) PARP1AURKBPRKD3PIM1GSK3A
SCHEMBL29180021 0.73 PARP1 (0.73) PARP1AURKBPARP2AURKA
SCHEMBL6841121 0.72 PARP1 (0.56) PARP1AURKBPARP2PIM1PIM3
SCHEMBL3088639 0.72 PARP1 (0.87) PARP1RIPK1
SCHEMBL3091018 0.72 PARP1 (0.87) PARP1RIPK1
SCHEMBL25022851 0.71 PARP1 (0.63) PARP1AURKBPARP2PRKD3PIM1

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 2 patents. 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
WO-2003106430-A1 BENZIMIDAZOLE INHIBITORS OF POLY(ADP-RIBOSYL) POLYMERASE PFIZER INC. (US) 2003-12-24 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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 PARP1 1/4885RIPK1 1119/4885AURKB 549/4885

“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.