SCHEMBL6841863

SCHEMBL6841863

NC(=O)c1cccc2[nH]c(NCCc3cccs3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
PARP1 P09874 17/20 0.47
RPS6KB1 P23443 2/20 0.47
AURKA O14965 1/20 0.47
PLK4 O00444 1/20 0.46
MAPK13 O15264 1/20 0.46
DYRK3 O43781 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
PIM1 P11309 1/20 0.46
PHKG2 P15735 1/20 0.46
PRKACA P17612 1/20 0.46
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
PRKX P51817 1/20 0.46
PRKCZ Q05513 1/20 0.46

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
SCHEMBL4246128 0.79 PDE10A (0.51) PARP1ROCK2ROCK1PARP2
SCHEMBL6841393 0.78 TDP1 (0.53) RIPK1PARP1RPS6KB1PLK4MAPK13
SCHEMBL4246131 0.76 NPC1 (0.50) ROCK2ROCK1
SCHEMBL6841123 0.75 PIM1 (0.61) RIPK1PARP1PRKD3MAP4K4PIM1
SCHEMBL6843631 0.74 PARP1 (0.59) PARP1RPS6KB1AURKACHEK2PARP2
SCHEMBL30225827 0.73 PARP1 (0.57) RIPK1PARP1
SCHEMBL6842025 0.73 PARP1 (0.66) PARP1RPS6KB1PLK4MAPK13DYRK3
SCHEMBL4244392 0.72 HPGD (0.51) PARP1RPS6KB1AURKA
SCHEMBL29412126 0.71 PKN1 (0.64) PARP1RPS6KB1PLK4MAPK13DYRK3
SCHEMBL1202237 0.70 PSMD14 (0.46) ROCK2ROCK1

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 RIPK1 1119/4885PARP1 1/4885RPS6KB1 878/4885

“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.