SCHEMBL3057359

SCHEMBL3057359

CCCn1c(Cn2ccnc2-c2ccccc2C#N)nc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
TP53 P04637 6/20 0.40
AGTR1 P30556 2/20 0.37
AGTR2 P50052 2/20 0.37
GAA P10253 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
AKT1 P31749 1/20 0.35
ENPP2 Q13822 1/20 0.35
PDE10A Q9Y233 1/20 0.34
LMNA P02545 2/20 0.34
BRD4 O60885 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.33
PTK2B Q14289 1/20 0.33
SLC6A9 P48067 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3055712 0.87 TP53 (0.48) TP53AGTR1AGTR2GAAPDE4A
SCHEMBL3066023 0.85 PDE2A (0.46) TP53AGTR1AGTR2GAAPDE4A
SCHEMBL3061821 0.85 TP53 (0.42) TP53AGTR1AGTR2GAAPDE4A
SCHEMBL3060633 0.84 TP53 (0.43) TP53AGTR1AGTR2GAAPDE4A
SCHEMBL3060961 0.83 AKT1 (0.48) TP53AGTR1AGTR2GAAAKT1
SCHEMBL3070979 0.83 TP53 (0.43) TP53GAAPDE4APDE4BPDE4C
SCHEMBL5624950 0.83 PPARG (0.42) PPARGTP53PDE10ABRD4TSHR
SCHEMBL3069784 0.82 TP53 (0.40) TP53AGTR1AGTR2GAAPDE4A
SCHEMBL3061397 0.82 PDE4B (0.38) TP53GAAPDE4BPDE4DPDE10A
SCHEMBL3069729 0.82 TP53 (0.46) TP53AGTR1AGTR2GAAPDE4A

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
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-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-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 (2 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 PPARG 409/4885TP53 4833/4885AGTR1 1929/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PPARG 409/4885TP53 4833/4885AGTR1 1929/4885

“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.