SCHEMBL6841393

SCHEMBL6841393

NC(=O)c1cccc2[nH]c(NCCc3cnc[nH]3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
PARP1 P09874 12/20 0.53
RIPK1 Q13546 1/20 0.48
PKN1 Q16512 3/20 0.47
PKN2 Q16513 3/20 0.47
PIM1 P11309 2/20 0.46
PIM3 Q86V86 2/20 0.46
BRSK1 Q8TDC3 2/20 0.46
AURKB Q96GD4 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
FLT3 P36888 1/20 0.46
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
PHKG2 P15735 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
SCHEMBL6841863 0.78 RIPK1 (0.48) PARP1RIPK1PKN1PKN2PIM1
SCHEMBL6841123 0.75 PIM1 (0.61) PARP1RIPK1PIM1PIM3BRSK1
SCHEMBL6843631 0.74 PARP1 (0.59) PARP1CHEK2RPS6KB1PARP2
SCHEMBL30225827 0.73 PARP1 (0.57) PARP1RIPK1
SCHEMBL6842025 0.73 PARP1 (0.66) PARP1PKN1PKN2PIM1PIM3
SCHEMBL2927616 0.70 PARP1 (0.60) PARP1PKN1PKN2PIM1PIM3
SCHEMBL1933246 0.66 PARP1 (0.69) PARP1PKN1PKN2PIM1PIM3
SCHEMBL16497016 0.66 PARP1 (0.69) PARP1PKN1PKN2PIM1PIM3
SCHEMBL6842051 0.66 PARP1 (0.69) PARP1PKN1PKN2PIM1PIM3
SCHEMBL2755855 0.66 QPCT (0.71) HRH3CYP3A4CYP2D6TSHRCYP2C19

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 TDP1 31/4885PARP1 1/4885RIPK1 1119/4885

“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.