SCHEMBL3063000

SCHEMBL3063000

CCn1c(Cn2ccnc2-c2nccs2)nc2ccc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.42
DAPK3 O43293 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKACA P17612 1/20 0.42
LTK P29376 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
CDK9 P50750 1/20 0.42
LIMK1 P53667 1/20 0.42
CDK5 Q00535 1/20 0.42
MAP2K1 Q02750 1/20 0.42
AURKB Q96GD4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ALK Q9UM73 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CYP11B2 P19099 5/20 0.41
CYP11B1 P15538 4/20 0.41
ACSS2 Q9NR19 1/20 0.40

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
SCHEMBL3050589 0.92 PTGER4 (0.37) LRRK2DAPK3MAP4K4PRKACALTK
SCHEMBL3060923 0.90 CYP11B2 (0.35) LRRK2DAPK3MAP4K4PRKACALTK
SCHEMBL3059573 0.87 LYN (0.41) CYP11B2CYP11B1ACSS2AGTR2LYN
SCHEMBL13089643 0.86 AGTR2 (0.40) LRRK2CYP11B2CYP11B1ACSS2AGTR2
SCHEMBL3062900 0.85 CYP11B2 (0.44) CYP11B2CYP11B1CRHR1AGTR2LYN
SCHEMBL13089562 0.85 AGTR2 (0.40) CYP11B2CYP11B1ACSS2AGTR2LYN
SCHEMBL3062208 0.84 ACSS2 (0.45) LRRK2DAPK3MAP4K4PRKACALTK
SCHEMBL3055160 0.83 S1PR1 (0.38) AGTR2
SCHEMBL3064445 0.82 AGTR2 (0.39) ACSS2AGTR2LYNHPGD
SCHEMBL3069896 0.81 LYN (0.37) AGTR2LYN

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP claimed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP claimed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US claimed
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 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 (3 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 LRRK2 2247/4885DAPK3 2116/4885MAP4K4 3243/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 LRRK2 2247/4885DAPK3 2116/4885MAP4K4 3243/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 LRRK2 2247/4885DAPK3 2116/4885MAP4K4 3243/4885

“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.