SCHEMBL6841121

SCHEMBL6841121

NC(=O)c1cccc2[nH]c(CSCCN3CCOCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.56
PARP2 Q9UGN5 1/20 0.48
AURKB Q96GD4 2/20 0.46
AURKA O14965 1/20 0.46
PIM1 P11309 1/20 0.45
FLT3 P36888 1/20 0.45
PIM3 Q86V86 1/20 0.45
BRSK1 Q8TDC3 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
DHODH Q02127 1/20 0.44

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
SCHEMBL6841975 0.87 RIPK1 (0.43) PARP1
SCHEMBL6841114 0.82 PARP1 (0.48) PARP1PARP2
SCHEMBL6836856 0.75 PARP1 (0.51) PARP1PARP2AURKBAURKA
SCHEMBL7484755 0.74 HPGD (0.57) PARP1DHODH
SCHEMBL29180014 0.72 PARP1 (1.00) PARP1AURKBAURKADHODH
SCHEMBL6842034 0.72 PARP1 (0.50) PARP1PARP2AURKBAURKAPIM1
SCHEMBL4192763 0.72 PARP1 (0.52) PARP1PARP2
SCHEMBL25022851 0.71 PARP1 (0.63) PARP1PARP2AURKBPIM1PIM3
SCHEMBL6842039 0.70 AURKB (0.57) PARP1PARP2AURKBAURKAPIM1
SCHEMBL4190638 0.70 PARP1 (0.50) PARP1PARP2AURKBAURKA

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 1/4885PARP2 3/4885AURKB 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.