SCHEMBL6842039

SCHEMBL6842039

NC(=O)c1cccc2[nH]c(CNCCCN3CCCC3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.57
PIM1 P11309 2/20 0.57
PIM3 Q86V86 2/20 0.57
MKNK2 Q9HBH9 2/20 0.57
FLT3 P36888 1/20 0.57
BRSK1 Q8TDC3 1/20 0.57
PARP1 P09874 17/20 0.55
PRKD3 O94806 1/20 0.54
SRC P12931 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
CLK2 P49760 1/20 0.54
GSK3A P49840 1/20 0.54
DYRK1A Q13627 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
STK17A Q9UEE5 1/20 0.54
DHODH Q02127 1/20 0.52
AURKA O14965 1/20 0.49
PARP2 Q9UGN5 1/20 0.49

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
SCHEMBL6807413 0.75 AURKB (0.62) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6805542 0.75 AURKB (0.61) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6811018 0.75 AURKB (0.61) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6806566 0.73 AURKB (1.00) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL7162295 0.72 PIM1 (0.69) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL25022851 0.71 PARP1 (0.63) AURKBPIM1PIM3MKNK2BRSK1
SCHEMBL7135390 0.71 PARP1 (0.81) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6805709 0.71 AURKB (0.69) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6805047 0.71 AURKB (0.72) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6811029 0.71 AURKB (0.72) AURKBPIM1PIM3MKNK2FLT3

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 AURKB 549/4885PIM1 909/4885PIM3 1318/4885

“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.