SCHEMBL3069784

SCHEMBL3069784

CCCn1c(Cn2ccnc2-c2ccccc2C(F)(F)F)nc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
LMNA P02545 1/20 0.40
HSD11B1 P28845 2/20 0.38
SCN9A Q15858 7/20 0.37
SCN10A Q9Y5Y9 3/20 0.37
GRM2 Q14416 1/20 0.37
AGTR1 P30556 2/20 0.37
AGTR2 P50052 2/20 0.37
GAA P10253 1/20 0.37
PDE10A Q9Y233 2/20 0.36
PDE2A O00408 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL3061821 0.87 TP53 (0.42) TP53LMNAAGTR1AGTR2GAA
SCHEMBL3055712 0.87 TP53 (0.48) TP53LMNAAGTR1AGTR2GAA
SCHEMBL3060633 0.86 TP53 (0.43) TP53LMNAAGTR1AGTR2GAA
SCHEMBL3066023 0.85 PDE2A (0.46) TP53LMNAAGTR1AGTR2GAA
SCHEMBL3060961 0.83 AKT1 (0.48) TP53LMNAAGTR1AGTR2GAA
SCHEMBL3065381 0.83 TP53 (0.43) TP53GAAPDE10APDE4APDE4B
SCHEMBL3060329 0.83 TP53 (0.43) TP53LMNAAGTR1AGTR2GAA
SCHEMBL3057359 0.82 PPARG (0.41) TP53LMNAAGTR1AGTR2GAA
SCHEMBL3069729 0.82 TP53 (0.46) TP53LMNAAGTR1AGTR2GAA
SCHEMBL3065114 0.82 TP53 (0.41) TP53LMNAAGTR1AGTR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 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-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
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 TP53 4833/4885LMNA 2796/4885HSD11B1 1583/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 TP53 4833/4885LMNA 2796/4885HSD11B1 1583/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 TP53 4833/4885LMNA 2796/4885HSD11B1 1583/4885

“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.