SCHEMBL655588

SCHEMBL655588

CN1CCC(c2nc(-c3nc4c(C(N)=O)cccc4[nH]3)cs2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.66
PARP2 Q9UGN5 9/20 0.66
PRKD3 O94806 1/20 0.51
PIM1 P11309 1/20 0.51
SRC P12931 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
CLK2 P49760 1/20 0.51
GSK3A P49840 1/20 0.51
DYRK1A Q13627 1/20 0.51
PIM3 Q86V86 1/20 0.51
AURKB Q96GD4 1/20 0.51
PRKD2 Q9BZL6 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
STK17A Q9UEE5 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
SCHEMBL659523 0.90 PARP1 (0.67) PARP1PARP2PRKD3PIM1SRC
SCHEMBL659642 0.90 PARP1 (0.68) PARP1PARP2
SCHEMBL659428 0.88 PARP1 (0.63) PARP1PARP2
SCHEMBL658210 0.87 PARP1 (0.64) PARP1PARP2PRKD3PIM1CLK2
SCHEMBL4968967 0.80 PARP1 (1.00) PARP1PARP2
SCHEMBL5621887 0.79 PARP1 (1.00) PARP1PARP2
SCHEMBL4970882 0.76 PARP1 (1.00) PARP1PARP2
SCHEMBL4969958 0.75 PARP1 (0.72) PARP1PARP2PRKD3PIM1FLT4
SCHEMBL5621269 0.73 PARP1 (0.87) PARP1PARP2
SCHEMBL3159962 0.73 PARP1 (0.61) PARP1PARP2PRKD3PIM1CLK2

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 2/4885PRKD3 1121/4885
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885PRKD3 1121/4885

“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.