SCHEMBL2293271

SCHEMBL2293271

CC(=O)c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.57
DHODH Q02127 3/20 0.55
PKN1 Q16512 2/20 0.55
PKN2 Q16513 2/20 0.55
PLK4 O00444 1/20 0.55
MAPK13 O15264 1/20 0.55
DYRK3 O43781 1/20 0.55
ROCK2 O75116 1/20 0.55
RPS6KA5 O75582 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
CHEK2 O96017 1/20 0.55
PIM1 P11309 1/20 0.55
PHKG2 P15735 1/20 0.55
PRKACA P17612 1/20 0.55
RPS6KB1 P23443 1/20 0.55
CSNK1D P48730 1/20 0.55
CLK2 P49760 1/20 0.55
GSK3A P49840 1/20 0.55
PRKX P51817 1/20 0.55

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
SCHEMBL657761 0.82 PARP1 (0.60) PARP1DHODHPKN1PKN2PLK4
SCHEMBL657126 0.81 PKN1 (0.58) PARP1DHODHPKN1PKN2PLK4
SCHEMBL655469 0.81 PKN1 (0.77) PARP1DHODHPKN1PKN2PLK4
SCHEMBL660169 0.79 PARP1 (0.71) PARP1DHODHPKN1PKN2PLK4
SCHEMBL657327 0.79 PARP1 (0.55) PARP1DHODHPKN1PKN2PLK4
SCHEMBL656979 0.78 PKN1 (0.78) PARP1DHODHPKN1PKN2PLK4
SCHEMBL29412126 0.77 PKN1 (0.64) PARP1DHODHPKN1PKN2PLK4
SCHEMBL657620 0.77 PKN1 (0.60) PARP1DHODHPKN1PKN2PLK4
SCHEMBL2299805 0.76 PARP1 (0.79) PARP1DHODHPKN1PKN2PLK4
SCHEMBL6805408 0.75 PARP1 (0.60) PARP1DHODHPKN1PKN2PLK4

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-7999117-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBVIE INC. 2011-08-16 US disclosed
EP-1966157-B1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2010-03-24 EP disclosed
US-7595406-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-09-29 US disclosed
US-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
EP-2012780-A4 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2009-06-24 EP disclosed
EP-2012780-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2009-01-14 EP disclosed
US-7462724-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LABORATORIES (US) 2008-12-09 US disclosed
EP-1966157-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-09-10 EP disclosed
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-11-22 US disclosed
WO-2007131016-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-11-15 WO disclosed
US-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES 2007-11-08 US disclosed
WO-2007059230-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-05-24 WO disclosed
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-05-17 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 (4 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-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885DHODH 980/4885PKN1 941/4885
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885DHODH 1661/4885PKN1 619/4885
US-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885DHODH 980/4885PKN1 941/4885
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885DHODH 1661/4885PKN1 619/4885

“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.