SCHEMBL2292553

SCHEMBL2292553

NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCC(N)C4)cc3)nc12

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.74
DHODH Q02127 1/20 0.60
PARP2 Q9UGN5 3/20 0.59
KDR P35968 2/20 0.58
AURKB Q96GD4 2/20 0.58
AURKA O14965 1/20 0.58

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
SCHEMBL2294477 0.87 PARP1 (0.69) PARP1DHODHPARP2KDRAURKB
SCHEMBL2297309 0.86 PARP1 (0.56) PARP1DHODHPARP2AURKB
SCHEMBL2298581 0.86 PARP1 (0.71) PARP1DHODHPARP2KDRAURKB
SCHEMBL7137128 0.86 PARP1 (1.00) PARP1DHODHKDRAURKBAURKA
SCHEMBL2297211 0.85 PARP1 (0.70) PARP1DHODHPARP2KDRAURKB
SCHEMBL7139308 0.85 PARP1 (1.00) PARP1DHODHKDRAURKBAURKA
SCHEMBL2296359 0.85 PARP1 (0.69) PARP1DHODHPARP2KDRAURKB
SCHEMBL2292704 0.85 PARP1 (0.66) PARP1DHODHPARP2KDRAURKB
SCHEMBL30811238 0.84 PARP1 (0.84) PARP1DHODHPARP2KDRAURKB
SCHEMBL29179997 0.84 PARP1 (0.84) PARP1DHODHPARP2KDRAURKB

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 19 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 claimed
US-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-07-23 US claimed
EP-2012780-A4 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2009-06-24 EP claimed
EP-2012780-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2009-01-14 EP claimed
WO-2007131016-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-11-15 WO claimed
US-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES 2007-11-08 US claimed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2019-03-28 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 US disclosed
WO-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed
WO-2017042634-A2 USE OF DIANHYDROGALACTITOL OR DERIVATIVES AND ANALOGS THEREOF FOR TREATMENT OF NON-SMALL-CELL LUNG CARCINOMA, GLIOBLASTOMA, AND OVARIAN CARCINOMA BY INDUCTION OF DNA DAMAGE AND STALLING OF CELL CYCLE DEL MAR PHARMACEUTICALS (CA) 2017-03-16 WO disclosed
US-7999117-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBVIE INC. 2011-08-16 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 980/4885PARP2 2/4885
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885DHODH 1189/4885PARP2 422/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 PARP1 418/4885DHODH 1189/4885PARP2 422/4885
US-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885DHODH 980/4885PARP2 2/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885DHODH 1189/4885PARP2 422/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885DHODH 1189/4885PARP2 422/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 PARP1 248/4885DHODH 201/4885PARP2 196/4885

“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.