SCHEMBL3064900

SCHEMBL3064900

CCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)c2)nc2cc(C#N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.41
GRIN1 Q05586 5/20 0.41
PTGER4 P35408 1/20 0.40
MAT2A P31153 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP11B2 P19099 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
S1PR1 P21453 2/20 0.37
ELANE P08246 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
IDH1 O75874 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3070797 0.90 PTGER4 (0.44) PTGER4KDM4ECYP11B2S1PR1HTT
SCHEMBL3070829 0.90 CNR2 (0.41) GRIN2BGRIN1KDM4EALDH1A1LMNA
SCHEMBL3067696 0.89 PTGER4 (0.43) PTGER4KDM4ECYP11B2S1PR1HTT
SCHEMBL3064140 0.88 PTGER4 (0.41) PTGER4KDM4ECYP11B2S1PR1HTT
SCHEMBL3070578 0.87 PGGT1B (0.40) PTGER4CYP11B2CTSSCTSKIDH1
SCHEMBL3050535 0.86 PTGER4 (0.41) PTGER4KDM4ECYP11B2S1PR1CTSS
SCHEMBL3065208 0.86 TSHR (0.45) PTGER4CYP11B2S1PR1ALDH1A1
SCHEMBL3065899 0.85 CYP11B2 (0.39) GRIN2BGRIN1PTGER4CYP11B2HTT
SCHEMBL3069799 0.84 CYP11B2 (0.54) PTGER4KDM4ECYP11B2HSD17B10ALDH1A1
SCHEMBL3059574 0.84 ALOX5AP (0.39) PTGER4CTSSCTSKIDH1HTT

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
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 GRIN2B 111/4885GRIN1 231/4885PTGER4 1205/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 GRIN2B 111/4885GRIN1 231/4885PTGER4 1205/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 GRIN2B 111/4885GRIN1 231/4885PTGER4 1205/4885

“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.