SCHEMBL3067971

SCHEMBL3067971

CCn1c(Cn2ccnc2-c2ncccc2F)nc2cc(-c3nnc(C)o3)cnc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.32
GRIN2B Q13224 6/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
CHEK1 O14757 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CDK2 P24941 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PIM3 Q86V86 1/20 0.30

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
SCHEMBL3067374 0.86 TRPM8 (0.38) GRIN1GRIN2BKDM4EUSP2ALDH1A1
SCHEMBL3070814 0.81 APP (0.34) GRIN1GRIN2B
SCHEMBL3068576 0.81 TP53 (0.38) KDM4EALDH1A1
SCHEMBL3060545 0.78 PDE10A (0.33)
SCHEMBL13547840 0.76 PDE10A (0.31)
SCHEMBL3066024 0.76 RPS6KA5 (0.41) KDM4EUSP2ALDH1A1MAPK1HSD17B10
SCHEMBL3060221 0.76 CYP11B1 (0.38) GRIN1GRIN2BKDM4EALDH1A1CYP11B1
SCHEMBL13089683 0.75 PTGER4 (0.33)
SCHEMBL3066093 0.75 ALDH1A1 (0.40) GRIN1GRIN2BKDM4EUSP2ALDH1A1
SCHEMBL3050193 0.74 TP53 (0.39) KDM4EHTTNPSR1CYP11B1CYP11B2

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 14 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-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
EP-1789471-A1 SULFONATED COPOLYETHERESTER COMPOSITIONS FROM HYDROXYALKANOIC ACIDS AND SHAPED ARTICLES PRODUCED THEREFROM E.I.Du pont de nemours and company (US) 2007-05-30 EP disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
WO-2006010062-A1 SULFONATED COPOLYETHERESTER COMPOSITIONS FROM HYDROXYALKANOIC ACIDS AND SHAPED ARTICLES PRODUCED THEREFROM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-01-26 WO 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 111/4885KDM4E 1996/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 GRIN1 231/4885GRIN2B 111/4885KDM4E 1996/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 GRIN1 231/4885GRIN2B 111/4885KDM4E 1996/4885

“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.