SCHEMBL3061397

SCHEMBL3061397

CCCn1c(Cn2ccnc2-c2cc(C#N)ccc2F)nc2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
TP53 P04637 7/20 0.38
GAA P10253 1/20 0.36
GRM5 P41594 1/20 0.36
PDE10A Q9Y233 6/20 0.36
PDE2A O00408 6/20 0.36
MAPT P10636 1/20 0.35
SLC6A9 P48067 1/20 0.34
TGFBR1 P36897 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3062633 0.93 PDE4B (0.39) PDE4BPDE4DTP53GRM5PDE10A
SCHEMBL3050447 0.88 TP53 (0.41) PDE4BTP53GAAPDE10APDE2A
SCHEMBL3065139 0.88 TP53 (0.41) TP53GAAPDE10APDE2AMAPT
SCHEMBL3065114 0.86 TP53 (0.41) PDE4BPDE4DTP53GAAPDE10A
SCHEMBL3064982 0.85 TP53 (0.40) PDE4BPDE4DTP53GAAGRM5
SCHEMBL3061821 0.85 TP53 (0.42) PDE4BPDE4DTP53GAAPDE10A
SCHEMBL3057359 0.82 PPARG (0.41) PDE4BPDE4DTP53GAAPDE10A
SCHEMBL3060616 0.82 PTGER4 (0.33) TP53GAAGRM5PDE2AKDM4E
SCHEMBL3060633 0.82 TP53 (0.43) PDE4BPDE4DTP53GAAPDE10A
SCHEMBL3060329 0.81 TP53 (0.43) PDE4BPDE4DTP53GAAPDE10A

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 16 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-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 PDE4B 1483/4885PDE4D 1624/4885TP53 4833/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PDE4B 1483/4885PDE4D 1624/4885TP53 4833/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PDE4B 1483/4885PDE4D 1624/4885TP53 4833/4885

“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.