SCHEMBL3059869

SCHEMBL3059869

CCn1c(Cn2ccnc2-c2cccc(Cl)c2)nc2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TBXA2R P21731 4/20 0.39
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
RPS6KA5 O75582 1/20 0.38
TP53 P04637 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NLRP3 Q96P20 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
MAP4K1 Q92918 1/20 0.36
GNRHR P30968 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
SCHEMBL3064971 0.92 BRD4 (0.40) BRD4TBXA2RRAB9AKMT2ATP53
SCHEMBL3054810 0.92 TP53 (0.39) CYP11B1CYP11B2BRD4ALDH1A1TBXA2R
SCHEMBL3059704 0.92 TP53 (0.42) BRD4ALDH1A1POLBAPOBEC3GRAB9A
SCHEMBL3063221 0.91 NLRP3 (0.43) CYP11B1CYP11B2ALDH1A1RAB9AKMT2A
SCHEMBL3411110 0.88 BRD4 (0.39) BRD4ALDH1A1POLBAPOBEC3GTBXA2R
SCHEMBL3050438 0.88 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1TBXA2RKMT2A
SCHEMBL3070468 0.88 MAPT (0.46) CYP11B1CYP11B2ALDH1A1APOBEC3GTBXA2R
SCHEMBL3061263 0.87 CYP11B2 (0.42) CYP11B1CYP11B2ALDH1A1KMT2ARPS6KA5
SCHEMBL3049258 0.87 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A1KMT2ARPS6KA5
SCHEMBL3060244 0.87 BRD4 (0.40) BRD4ALDH1A1POLBAPOBEC3GRAB9A

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 18 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 claimed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP claimed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 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 CYP11B1 77/4885CYP11B2 47/4885BRD4 138/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CYP11B1 77/4885CYP11B2 47/4885BRD4 138/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 CYP11B1 77/4885CYP11B2 47/4885BRD4 138/4885

“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.