SCHEMBL3060221

SCHEMBL3060221

CCn1c(Cn2ccnc2-c2ncccc2F)nc2cnc(C)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
RPS6KA5 O75582 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ACSS2 Q9NR19 4/20 0.32
GRIN2B Q13224 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRIN1 Q05586 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRD4 O60885 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
GRM2 Q14416 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL3061412 0.88 RPS6KA5 (0.48) CYP11B1CYP11B2RPS6KA5GRIN2BBRD4
SCHEMBL3059639 0.88 CYP11B1 (0.40) CYP11B1CYP11B2RPS6KA5KDM4EACSS2
SCHEMBL3062897 0.88 PKM (0.36) CYP11B1CYP11B2GRIN2BCYP1A2CYP2C9
SCHEMBL3050193 0.86 TP53 (0.39) CYP11B1CYP11B2KDM4EACSS2CYP1A2
SCHEMBL3055367 0.86 RPS6KA5 (0.40) CYP11B1CYP11B2RPS6KA5KDM4EACSS2
SCHEMBL3066024 0.86 RPS6KA5 (0.41) CYP11B1CYP11B2RPS6KA5KDM4EACSS2
SCHEMBL3060409 0.86 CYP11B1 (0.35) CYP11B1CYP11B2ACSS2GRIN2BGRIN1
SCHEMBL3060648 0.85 KDM4E (0.33) CYP11B1CYP11B2RPS6KA5KDM4EACSS2
SCHEMBL3050284 0.84 PDE2A (0.44) CYP11B1CYP11B2ACSS2CYP2C19PDE10A
SCHEMBL3062906 0.84 TP53 (0.39) KDM4ECYP1A2CYP2C9CYP2C19KCNH2

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
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US claimed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP 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 47/4885RPS6KA5 2860/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CYP11B1 77/4885CYP11B2 47/4885RPS6KA5 2860/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 CYP11B1 77/4885CYP11B2 47/4885RPS6KA5 2860/4885

“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.