SCHEMBL316913

SCHEMBL316913

NC(=O)c1cccc2sc(-c3ccc(-c4ccncc4)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.54
PARP2 Q9UGN5 2/20 0.54
ROCK2 O75116 3/20 0.50
MAP4K4 O95819 3/20 0.50
CLK4 Q9HAZ1 3/20 0.50
MKNK2 Q9HBH9 2/20 0.50
PKN1 Q16512 2/20 0.50
PKN2 Q16513 2/20 0.50
PIM1 P11309 2/20 0.50
PLK4 O00444 1/20 0.50
MAPK13 O15264 1/20 0.50
DYRK3 O43781 1/20 0.50
RPS6KA5 O75582 1/20 0.50
PRKD3 O94806 1/20 0.50
CHEK2 O96017 1/20 0.50
PHKG2 P15735 1/20 0.50
PRKACA P17612 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CSNK1D P48730 1/20 0.50
CLK2 P49760 1/20 0.50

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
SCHEMBL316463 0.89 PARP1 (0.52) PARP1PARP2CDC7DBF4CDK2
SCHEMBL317029 0.87 PARP1 (0.58) PARP1PARP2MKNK2PKN1PKN2
SCHEMBL316533 0.86 PARP1 (0.52) PARP1RPS6KB1KDM4ENPC1RAB9A
SCHEMBL315601 0.82 PARP1 (0.58) PARP1RPS6KB1KDM4ENPC1RAB9A
SCHEMBL315939 0.76 CHEK2 (0.39) PARP1PARP2CHEK2APPDHODH
SCHEMBL8583785 0.73 PARP1 (0.49) PARP1PARP2
SCHEMBL4470820 0.73 PDPK1 (0.59) PARP1PARP2
SCHEMBL30874474 0.72 PARP1 (0.47) PARP1PARP2ROCK2MAP4K4CLK4
SCHEMBL28246482 0.70 CDC7 (0.56) CDC7DBF4CDK2CCNE1KDM4E
SCHEMBL23857795 0.70 UBE2T (0.47) PARP1PARP2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093396-B2 Benzthiazole inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2012-01-10 US claimed
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 US claimed
WO-2010083199-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 WO claimed
US-8093396-B2 Benzthiazole inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2012-01-10 US disclosed
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
WO-2010083199-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 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-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP6 PARP1 1/4885PARP2 2/4885ROCK2 3333/4885

“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.