SCHEMBL659523

SCHEMBL659523

CCCN1CCC(c2nc(-c3nc4c(C(N)=O)cccc4[nH]3)cs2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.67
PARP2 Q9UGN5 4/20 0.67
AURKB Q96GD4 4/20 0.52
AURKA O14965 2/20 0.52
PIM1 P11309 2/20 0.51
PIM3 Q86V86 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
FLT3 P36888 1/20 0.51
BRSK1 Q8TDC3 1/20 0.51
PRKD3 O94806 1/20 0.50
SRC P12931 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
CLK2 P49760 1/20 0.50
GSK3A P49840 1/20 0.50
DYRK1A Q13627 1/20 0.50
PRKD2 Q9BZL6 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
STK17A Q9UEE5 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
SCHEMBL655588 0.90 PARP1 (0.66) PARP1PARP2AURKBPIM1PIM3
SCHEMBL659642 0.85 PARP1 (0.68) PARP1PARP2
SCHEMBL659428 0.84 PARP1 (0.63) PARP1PARP2
SCHEMBL658210 0.83 PARP1 (0.64) PARP1PARP2AURKBPIM1PIM3
SCHEMBL423949 0.81 PARP1 (1.00) PARP1PARP2
SCHEMBL4967855 0.79 PARP1 (0.79) PARP1PARP2AURKBAURKA
SCHEMBL630104 0.78 PARP1 (1.00) PARP1PARP2
Succinic Acid SCHEMBL29396818 0.77 PARP1 (0.90) PARP1PARP2
SCHEMBL5621649 0.74 PARP1 (0.86) PARP1PARP2
Hydrochloric Acid SCHEMBL5620758 0.74 PARP1 (0.86) 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 5 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
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US 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
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 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 (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 2/4885AURKB 546/4885
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885AURKB 546/4885

“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.