SCHEMBL3064280

SCHEMBL3064280

CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2ccncc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.48
CYP11B1 P15538 4/20 0.48
GRIN1 Q05586 7/20 0.41
GRIN2B Q13224 7/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDR P35968 1/20 0.37
RPS6KA5 O75582 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
AOC3 Q16853 1/20 0.36

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
SCHEMBL3065824 0.92 CYP11B2 (0.46) CYP11B2CYP11B1GRIN1GRIN2BMAPT
SCHEMBL3055208 0.89 MAPT (0.48) CYP11B2CYP11B1MAPTALDH1A1NPSR1
SCHEMBL3055986 0.86 CYP11B2 (0.43) CYP11B2CYP11B1GRIN1GRIN2BMAPT
SCHEMBL3049258 0.86 CYP11B1 (0.40) CYP11B2CYP11B1GRIN1GRIN2BMAPT
SCHEMBL3063448 0.85 CYP11B2 (0.45) CYP11B2CYP11B1MAPTALDH1A1NPSR1
SCHEMBL3049300 0.84 TP53 (0.39) CYP11B2CYP11B1GRIN1GRIN2BMAPT
SCHEMBL13099936 0.84 CYP11B2 (0.41) CYP11B2CYP11B1GRIN1GRIN2BMAPT
SCHEMBL3072695 0.84 MAPT (0.40) CYP11B2CYP11B1MAPTALDH1A1RPS6KA5
SCHEMBL3060296 0.83 CYP11B1 (0.39) CYP11B2CYP11B1GRIN1GRIN2BMAPT
SCHEMBL3059951 0.83 KDM4E (0.45) CYP11B2CYP11B1GRIN1GRIN2BMAPT

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 21 patents — showing the first 20. 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
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US claimed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP 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-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
EP-1506194-B1 SUBSTITUTED RING-FUSED IMIDAZOLE DERIVATES: GABA sb A /sb RECEPTOR LIGANDS NEUROGEN CORP (US) 2006-07-19 EP disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
US-6916827-B2 Substituted ring-fused imidazole derivative: GABAA receptors ligands NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
US-20040014780-A1 Substituted ring-fused imidazole derivative: GABAA receptors ligands NEUROGEN CORPORATION 2004-01-22 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CYP11B2 47/4885CYP11B1 77/4885GRIN1 231/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CYP11B2 47/4885CYP11B1 77/4885GRIN1 231/4885
US-20040014780-A1 Substituted ring-fused imidazole derivative: GABAA receptors ligands GABRB1, GABRA1, GABRB3 CYP11B2 342/4885CYP11B1 349/4885GRIN1 37/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 CYP11B2 47/4885CYP11B1 77/4885GRIN1 231/4885

“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.