SCHEMBL3060232

SCHEMBL3060232

CCn1c(Cn2ccnc2-c2ncccn2)nc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.50
CYP11B1 P15538 4/20 0.50
RPS6KA5 O75582 1/20 0.42
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
GAA P10253 3/20 0.37
PKM P14618 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 2/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL3065922 0.91 RPS6KA5 (0.42) CYP11B2CYP11B1RPS6KA5AGTR1AGTR2
SCHEMBL3072587 0.89 ACSS2 (0.42) CYP11B2CYP11B1GAAPKMALDH1A1
SCHEMBL13099942 0.87 ACSS2 (0.42) CYP11B2CYP11B1RPS6KA5GAAPKM
SCHEMBL3060419 0.87 TP53 (0.43) CYP11B2CYP11B1GAAPKMALDH1A1
SCHEMBL3067271 0.86 S1PR1 (0.44) CYP11B2CYP11B1PDE2APDE10AACSS2
SCHEMBL3055685 0.85 MAPT (0.49) GAAPKMALDH1A1CRHBPCRHR2
SCHEMBL3066545 0.85 CYP11B1 (0.38) CYP11B2CYP11B1GAAPKMALDH1A1
SCHEMBL3065506 0.84 KDM4E (0.34) CYP11B2CYP11B1GAAPKMALDH1A1
SCHEMBL3065863 0.84 NTRK1 (0.39) RPS6KA5GAAALDH1A1SMN1; SMN2HTT
SCHEMBL3062208 0.84 ACSS2 (0.45) CYP11B2CYP11B1GAAHTTRAB9A

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
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-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 CYP11B2 47/4885CYP11B1 77/4885RPS6KA5 2860/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CYP11B2 47/4885CYP11B1 77/4885RPS6KA5 2860/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 CYP11B2 47/4885CYP11B1 77/4885RPS6KA5 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.