SCHEMBL658210

SCHEMBL658210

NC(=O)c1cccc2[nH]c(-c3csc(C4CCNCC4)n3)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.64
PARP2 Q9UGN5 6/20 0.64
DYRK3 O43781 2/20 0.51
PRKD3 O94806 2/20 0.51
MAP4K4 O95819 2/20 0.51
PIM1 P11309 2/20 0.51
CLK2 P49760 2/20 0.51
DYRK1A Q13627 2/20 0.51
AURKB Q96GD4 2/20 0.51
PRKD2 Q9BZL6 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
PLK4 O00444 1/20 0.51
MAPK13 O15264 1/20 0.51
ROCK2 O75116 1/20 0.51
RPS6KA5 O75582 1/20 0.51
CHEK2 O96017 1/20 0.51
PHKG2 P15735 1/20 0.51
PRKACA P17612 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CSNK1D P48730 1/20 0.51

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
SCHEMBL655588 0.87 PARP1 (0.66) PARP1PARP2PRKD3PIM1CLK2
SCHEMBL659642 0.84 PARP1 (0.68) PARP1PARP2
SCHEMBL659428 0.84 PARP1 (0.63) PARP1PARP2
SCHEMBL659523 0.83 PARP1 (0.67) PARP1PARP2PRKD3PIM1CLK2
SCHEMBL4971541 0.78 PARP1 (1.00) PARP1PARP2
SCHEMBL5619945 0.77 PARP1 (1.00) PARP1PARP2
Hydrochloric Acid SCHEMBL18614383 0.76 PARP1 (0.97) PARP1PARP2
SCHEMBL3159962 0.76 PARP1 (0.61) PARP1PARP2DYRK3PRKD3MAP4K4
Hydrochloric Acid SCHEMBL6802006 0.75 PARP1 (0.60) PARP1PARP2DYRK3PRKD3MAP4K4
SCHEMBL3159680 0.74 PARP1 (0.53) PARP1PARP2DYRK3PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067613-B2 Benzimidazole poly(ADP ribose)polymerase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US claimed
EP-2183248-A2 BENZIMIDAZOLE POLY (ADP RIBOSE) POLYMERASE INHIBITORS Abbott Laboratories (US) 2010-05-12 EP claimed
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US claimed
WO-2009012280-A2 BENZIMIDAZOLE POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-22 WO claimed
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 US disclosed
US-8067613-B2 Benzimidazole poly(ADP ribose)polymerase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US disclosed
EP-2183248-A2 BENZIMIDAZOLE POLY (ADP RIBOSE) POLYMERASE INHIBITORS Abbott Laboratories (US) 2010-05-12 EP disclosed
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US disclosed
WO-2009012280-A2 BENZIMIDAZOLE POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-22 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 (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-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885DYRK3 4605/4885
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885DYRK3 4605/4885

“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.