SCHEMBL4969237

SCHEMBL4969237

CCN1CCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.65
PARP2 Q9UGN5 8/20 0.65
MAP4K4 O95819 2/20 0.64
CSF1R P07333 2/20 0.64
PIM1 P11309 2/20 0.64
CLK2 P49760 2/20 0.64
MAP4K2 Q12851 2/20 0.64
DYRK1A Q13627 2/20 0.64
MINK1 Q8N4C8 2/20 0.64
AURKB Q96GD4 2/20 0.64
MAP4K5 Q9Y4K4 2/20 0.64
DYRK3 O43781 1/20 0.64
PRKD3 O94806 1/20 0.64
INSR P06213 1/20 0.64
IRAK1 P51617 1/20 0.64
PRKCD Q05655 1/20 0.64
MELK Q14680 1/20 0.64
PRKD2 Q9BZL6 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
IRAK4 Q9NWZ3 1/20 0.64

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
SCHEMBL4971044 0.95 PARP1 (0.66) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL5520570 0.91 PARP1 (0.63) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4972160 0.90 PARP1 (0.65) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL21155205 0.89 PARP1 (0.64) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4975669 0.87 PARP1 (0.75) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL21160643 0.87 PARP1 (0.75) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4972297 0.87 PARP1 (0.66) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL9988497 0.87 PARP1 (0.66) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4970479 0.86 MAP4K4 (0.64) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4971680 0.86 PARP1 (0.65) PARP1PARP2MAP4K4CSF1RPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038751-A3 PROCESS FOR THE PURIFICATION OF AROMATIC DICARBOXYLIC ACID DAVY PROCESS TECHNOLOGY LIMITED (GB) 2012-05-10 WO claimed
EP-1957477-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2011-12-07 EP claimed
EP-1957477-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2008-08-20 EP claimed
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-08-02 US claimed
WO-2007041357-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-04-12 WO claimed
US-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2014-10-02 US disclosed
US-8697736-B2 1H-benzimidazole-4-carboxamides substituted with phenyl at the 2-position are potent PARP inhibitors ABBVIE INC. (US) 2014-04-15 US disclosed
WO-2012038751-A3 PROCESS FOR THE PURIFICATION OF AROMATIC DICARBOXYLIC ACID DAVY PROCESS TECHNOLOGY LIMITED (GB) 2012-05-10 WO disclosed
EP-1957477-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2011-12-07 EP disclosed
EP-1957477-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2008-08-20 EP disclosed
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-08-02 US disclosed
WO-2007041357-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-04-12 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-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885PARP2 2/4885MAP4K4 1133/4885
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885PARP2 2/4885MAP4K4 1129/4885

“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.