SCHEMBL4969641

SCHEMBL4969641

CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.59
PARP2 Q9UGN5 7/20 0.54
CHEK2 O96017 4/20 0.48
MAP4K4 O95819 1/20 0.47
INSR P06213 1/20 0.47
CSF1R P07333 1/20 0.47
PIM1 P11309 1/20 0.47
FLT4 P35916 1/20 0.47
FLT3 P36888 1/20 0.47
CLK2 P49760 1/20 0.47
IRAK1 P51617 1/20 0.47
ITK Q08881 1/20 0.47
MAP4K2 Q12851 1/20 0.47
DYRK1A Q13627 1/20 0.47
PIM3 Q86V86 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
AURKB Q96GD4 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47

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
SCHEMBL9989772 0.88 PARP1 (0.65) PARP1PARP2MAP4K4INSRCSF1R
SCHEMBL4970358 0.87 PARP1 (0.72) PARP1PARP2DHODH
SCHEMBL4968077 0.85 PARP1 (0.74) PARP1PARP2MAP4K4INSRCSF1R
SCHEMBL4971493 0.82 PARP1 (0.75) PARP1PARP2MAP4K4INSRCSF1R
SCHEMBL4971299 0.81 PARP1 (0.64) PARP1PARP2MAP4K4INSRCSF1R
SCHEMBL4972197 0.81 PARP1 (0.61) PARP1PARP2MAP4K4INSRCSF1R
SCHEMBL4971956 0.78 PARP1 (0.61) PARP1PARP2MAP4K4INSRCSF1R
SCHEMBL4971182 0.77 PARP1 (0.73) PARP1PARP2MAP4K4INSRCSF1R
SCHEMBL4970604 0.74 PARP1 (1.00) PARP1PARP2MAP4K4INSRCSF1R
SCHEMBL4972871 0.74 PARP1 (0.72) PARP1PARP2MAP4K4INSRCSF1R

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-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
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 2/4885CHEK2 82/4885
US-20070179136-A1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885PARP2 2/4885CHEK2 85/4885

“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.