SCHEMBL3061005

SCHEMBL3061005

CCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.37
GRIN2B Q13224 5/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
TLR8 Q9NR97 1/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.35
PDE6D O43924 1/20 0.35

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
SCHEMBL3060645 0.92 CYP11B1 (0.41) GRIN1GRIN2BBCHEACHEMAPT
SCHEMBL3060417 0.88 TP53 (0.50) MAPTMEN1KMT2ATP53POLB
SCHEMBL3054928 0.86 TP53 (0.41) GRIN1GRIN2BMAPTALDH1A1NPSR1
SCHEMBL3069710 0.85 TP53 (0.43) GRIN1GRIN2BBCHEACHEMAPT
SCHEMBL3055696 0.83 GRM2 (0.34) TP53BRD4
SCHEMBL3049300 0.83 TP53 (0.39) GRIN1GRIN2BMAPTTP53EGFR
SCHEMBL3072686 0.83 GRIN2B (0.38) GRIN1GRIN2BMAPTALDH1A1NPSR1
SCHEMBL3061134 0.82 GRM5 (0.40) GRIN1GRIN2BMAPTALDH1A1NPSR1
SCHEMBL13099974 0.82 KDM4E (0.38) GRIN1GRIN2BMAPTALDH1A1NPSR1
SCHEMBL3072571 0.80 PTGER4 (0.39) GRIN1GRIN2BMAPTALDH1A1NPSR1

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
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-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 GRIN1 231/4885GRIN2B 111/4885BCHE 1010/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 GRIN1 231/4885GRIN2B 111/4885BCHE 1010/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 GRIN1 231/4885GRIN2B 111/4885BCHE 1010/4885

“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.