SCHEMBL3096796

SCHEMBL3096796

CCCN(CCC)C(C)c1nc2c(C(N)=O)cccc2[nH]1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.82
CHEK1 O14757 1/20 0.49
MAP4K4 O95819 1/20 0.49
LCK P06239 1/20 0.49
CSF1R P07333 1/20 0.49
PIM1 P11309 1/20 0.49
PHKG2 P15735 1/20 0.49
MARK3 P27448 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
ITK Q08881 1/20 0.49
MAP4K2 Q12851 1/20 0.49
DYRK1A Q13627 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
PIM3 Q86V86 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
AURKB Q96GD4 1/20 0.49
PRKD2 Q9BZL6 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
SCHEMBL3092494 0.91 PARP1 (0.76) PARP1CHEK1MAP4K4LCKCSF1R
SCHEMBL3098751 0.83 PARP1 (0.73) PARP1
SCHEMBL28809289 0.79 PARP1 (1.00) PARP1
SCHEMBL3092602 0.79 PARP1 (1.00) PARP1
SCHEMBL28810281 0.79 PARP1 (1.00) PARP1
SCHEMBL3083868 0.79 PARP1 (0.73) PARP1
SCHEMBL3096257 0.79 PARP1 (1.00) PARP1
SCHEMBL28809245 0.77 PARP1 (0.80) PARP1
SCHEMBL3091018 0.77 PARP1 (0.87) PARP1
SCHEMBL3103147 0.77 PARP1 (1.00) PARP1

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
US-7728026-B2 2-substituted-1 h-benzimidazile-4-carboxamides are PARP inhibitors ABBOTT LABORATORIES, INC. (US) 2010-06-01 US claimed
US-20060229351-A1 2-Substituted-1 H-benzimidazile-4-carboxamides are PARP inhibitors ABBVIE INC. 2006-10-12 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
US-8217070-B2 2-substituted-1H-benzimidazole-4-carboxamides are PARP inhibitors ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-20100234425-A1 2-SUBSTITUTED-1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE PARP INHIBITORS ABBOTT LABORATORIES (US) 2010-09-16 US disclosed
US-7728026-B2 2-substituted-1 h-benzimidazile-4-carboxamides are PARP inhibitors ABBOTT LABORATORIES, INC. (US) 2010-06-01 US disclosed
WO-2006110683-A1 2-SUBSTITUTED-1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20060229351-A1 2-Substituted-1 H-benzimidazile-4-carboxamides are PARP inhibitors ABBVIE INC. 2006-10-12 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-20060229351-A1 2-Substituted-1 H-benzimidazile-4-carboxamides are PARP inhibitors PARP1, PARP2, PARP4 PARP1 1/4885CHEK1 60/4885MAP4K4 1118/4885
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885CHEK1 13/4885MAP4K4 1643/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 PARP1 418/4885CHEK1 13/4885MAP4K4 1643/4885
US-20100234425-A1 2-SUBSTITUTED-1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885CHEK1 50/4885MAP4K4 1461/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885CHEK1 13/4885MAP4K4 1643/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PARP1 418/4885CHEK1 13/4885MAP4K4 1643/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 PARP1 248/4885CHEK1 434/4885MAP4K4 2674/4885

“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.