SCHEMBL3065277

SCHEMBL3065277

N#Cc1csc(-c2ncc[nH]2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CHEK1 O14757 1/20 0.38
SCN9A Q15858 1/20 0.37
NISCH Q9Y2I1 2/20 0.34
MTOR P42345 1/20 0.34
ADK P55263 1/20 0.34
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL27905839 0.75 SCN9A (0.48) SCN9ANISCHMTORADKADORA2A
SCHEMBL30641564 0.74 PDE10A (0.46) SCN9ANISCHMTORADKADORA2A
SCHEMBL6903884 0.71 CYP1A2 (0.35) PDE4APDE4BPDE4CPDE4DCHEK1
SCHEMBL27609155 0.69 ALDH1A1 (0.46) NISCHMTORADKALDH1A1
SCHEMBL10851672 0.68 KDM4E (0.49) KMT2ACYP19A1XDHABCG2
SCHEMBL5201877 0.67 NUDT1 (0.35) SCN9ANISCHMTORADKADORA2A
SCHEMBL4762656 0.67 CTSS (0.44) PDE4APDE4BPDE4CPDE4DCHEK1
SCHEMBL21663974 0.66 HDAC6 (0.36) IDO1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL63377 0.65 METAP1 (0.43) PDE4APDE4BPDE4CPDE4DNISCH
SCHEMBL9638060 0.65 BRD4 (0.42) PDE4APDE4BPDE4CPDE4DCHEK1

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 20 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 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
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
CN-1553909-A Benzimidazole and pyridylimidazole derivatives as ligands for GABA receptors 2004-12-08 CN disclosed
EP-1368342-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2003-12-10 EP disclosed
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2003-04-10 US disclosed
WO-2002050062-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2002-06-27 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 (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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PDE4A 1667/4885PDE4B 1483/4885PDE4C 2168/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PDE4A 1667/4885PDE4B 1483/4885PDE4C 2168/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PDE4A 1667/4885PDE4B 1483/4885PDE4C 2168/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 PDE4A 1817/4885PDE4B 1847/4885PDE4C 2594/4885

“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.