SCHEMBL4973997

SCHEMBL4973997

NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCCN4)cc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00
PARP2 Q9UGN5 7/20 0.73
MAP4K4 O95819 1/20 0.61
CSF1R P07333 1/20 0.61
PIM1 P11309 1/20 0.61
CLK2 P49760 1/20 0.61
MAP4K2 Q12851 1/20 0.61
DYRK1A Q13627 1/20 0.61
MINK1 Q8N4C8 1/20 0.61
AURKB Q96GD4 1/20 0.61
MAP4K5 Q9Y4K4 1/20 0.61
DHODH Q02127 1/20 0.49

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
SCHEMBL4973961 0.97 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4970298 0.87 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4970604 0.85 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4972396 0.85 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4970556 0.85 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4970552 0.85 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4974096 0.84 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4967218 0.82 PARP1 (0.72) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4969687 0.82 PARP1 (0.74) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4972552 0.81 PARP1 (1.00) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296235-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBVIE INC. 2014-10-02 US claimed
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.