SCHEMBL6842051

SCHEMBL6842051

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.69
PKN1 Q16512 2/20 0.60
PKN2 Q16513 2/20 0.60
PLK4 O00444 1/20 0.60
MAPK13 O15264 1/20 0.60
DYRK3 O43781 1/20 0.60
ROCK2 O75116 1/20 0.60
RPS6KA5 O75582 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
CHEK2 O96017 1/20 0.60
PIM1 P11309 1/20 0.60
PHKG2 P15735 1/20 0.60
PRKACA P17612 1/20 0.60
RPS6KB1 P23443 1/20 0.60
CSNK1D P48730 1/20 0.60
CLK2 P49760 1/20 0.60
GSK3A P49840 1/20 0.60
PRKX P51817 1/20 0.60
PRKCZ Q05513 1/20 0.60

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
SCHEMBL8260543 0.86 KDM4E (0.60) PARP1DHODH
SCHEMBL1193115 0.85 PARP1 (0.54) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL16497016 0.83 PARP1 (0.69) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL1933246 0.83 PARP1 (0.69) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL871829 0.81 PARP1 (1.00) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL24112332 0.81 PKN1 (0.61) PARP1PKN1PKN2
SCHEMBL1202374 0.81 PKN1 (0.61) PARP1PKN1PKN2
SCHEMBL25022851 0.79 PARP1 (0.63) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL7316597 0.79 PARP1 (1.00) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL6842025 0.78 PARP1 (0.66) PARP1PKN1PKN2PLK4MAPK13

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
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 (2 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 1/4885PKN1 742/4885PKN2 838/4885
US-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA PARP1 1545/4885PKN1 3194/4885PKN2 3546/4885

“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.