SCHEMBL3072733

SCHEMBL3072733

CCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2ccc(F)nc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
GRM2 Q14416 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PDE10A Q9Y233 1/20 0.31
KCNH2 Q12809 4/20 0.31
CDK9 P50750 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 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
SCHEMBL3064896 0.90 PDE2A (0.33) PDE2ACYP11B1CYP11B2L3MBTL1NCOA1
SCHEMBL3060330 0.84 RPS6KA5 (0.41) PDE2ACYP11B1CYP11B2L3MBTL1SMN1; SMN2
SCHEMBL3070580 0.84 ALDH1A1 (0.38) CYP11B1CYP11B2MAPTMAPK1PDE10A
SCHEMBL3055689 0.83 CYP11B2 (0.41) PDE2ACYP11B1CYP11B2SMN1; SMN2MAPT
SCHEMBL14368290 0.82 NLRP3 (0.40) PDE2ACYP11B1CYP11B2L3MBTL1SMN1; SMN2
SCHEMBL3065544 0.81 TBXA2R (0.39) PDE2ACYP11B1CYP11B2SMN1; SMN2GRM2
SCHEMBL3065139 0.80 TP53 (0.41) PDE2AMAPTPDE10A
SCHEMBL3060709 0.80 KDM4E (0.45) CYP11B1CYP11B2L3MBTL1KDM4EMAPT
SCHEMBL3057871 0.80 TP53 (0.40) PDE2ACYP11B1CYP11B2L3MBTL1KDM4E
SCHEMBL3062999 0.80 TP53 (0.42) PDE2AMAPTPDE10A

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 PDE2A 2564/4885CYP11B1 77/4885CYP11B2 47/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PDE2A 2564/4885CYP11B1 77/4885CYP11B2 47/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PDE2A 2564/4885CYP11B1 77/4885CYP11B2 47/4885

“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.