SCHEMBL3061263

SCHEMBL3061263

CCn1c(Cn2ccnc2-c2cccc(-c3ccncc3)c2)nc2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.42
CYP11B1 P15538 2/20 0.42
AAK1 Q2M2I8 1/20 0.38
RPS6KA5 O75582 1/20 0.37
KCNK13 Q9HB14 1/20 0.37
KDM4E B2RXH2 2/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
MAP4K1 Q92918 2/20 0.35
NLRP3 Q96P20 1/20 0.35
MAPK14 Q16539 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL3063221 0.90 NLRP3 (0.43) CYP11B2CYP11B1RPS6KA5KDM4EMAPT
SCHEMBL3049258 0.88 CYP11B1 (0.40) CYP11B2CYP11B1RPS6KA5KDM4ETHRB
SCHEMBL3070468 0.87 MAPT (0.46) CYP11B2CYP11B1RPS6KA5KDM4ETHRB
SCHEMBL3059869 0.87 CYP11B1 (0.41) CYP11B2CYP11B1RPS6KA5KDM4EMAPT
SCHEMBL3050438 0.87 CYP11B1 (0.41) CYP11B2CYP11B1RPS6KA5KDM4ETHRB
SCHEMBL3065402 0.86 TDP1 (0.42) CYP11B2CYP11B1MAPTGAANLRP3
SCHEMBL3060296 0.85 CYP11B1 (0.39) CYP11B2CYP11B1AAK1RPS6KA5KDM4E
SCHEMBL3064812 0.85 CYP11B1 (0.39) CYP11B2CYP11B1RPS6KA5KDM4ETHRB
SCHEMBL3065899 0.85 CYP11B2 (0.39) CYP11B2CYP11B1RPS6KA5MAPTGAA
SCHEMBL3065824 0.84 CYP11B2 (0.46) CYP11B2CYP11B1RPS6KA5MAPTGAA

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 15 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
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 CYP11B2 47/4885CYP11B1 77/4885AAK1 3062/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CYP11B2 47/4885CYP11B1 77/4885AAK1 3062/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 CYP11B2 47/4885CYP11B1 77/4885AAK1 3062/4885

“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.