SCHEMBL657954

SCHEMBL657954

NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4)nc3)nc12

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.74
PARP2 Q9UGN5 7/20 0.74
DHODH Q02127 1/20 0.57
MAP4K4 O95819 1/20 0.56
CSF1R P07333 1/20 0.56
PIM1 P11309 1/20 0.56
CLK2 P49760 1/20 0.56
MAP4K2 Q12851 1/20 0.56
DYRK1A Q13627 1/20 0.56
MINK1 Q8N4C8 1/20 0.56
AURKB Q96GD4 1/20 0.56
MAP4K5 Q9Y4K4 1/20 0.56

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
SCHEMBL4972552 0.85 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4970556 0.82 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4972396 0.82 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4970552 0.82 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL633643 0.78 PARP1 (1.00) PARP1PARP2
SCHEMBL7702651 0.78 PARP1 (1.00) PARP1PARP2
SCHEMBL630259 0.78 PARP1 (1.00) PARP1PARP2
SCHEMBL656712 0.78 PARP1 (0.60) PARP1PARP2DHODH
SCHEMBL657648 0.78 PARP1 (0.61) PARP1PARP2DHODH
SCHEMBL656901 0.78 PARP1 (0.60) PARP1PARP2DHODHAURKB

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 2/4885DHODH 1413/4885
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885DHODH 1413/4885

“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.