SCHEMBL13089643

SCHEMBL13089643

CCn1c(Cn2ccnc2-c2nccs2)nc2ccc(-c3nccs3)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.40
LYN P07948 1/20 0.36
CHEK1 O14757 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ADRB2 P07550 1/20 0.33
TPH1 P17752 1/20 0.33
TPH2 Q8IWU9 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ACSS2 Q9NR19 1/20 0.32
PDE10A Q9Y233 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ALOX5AP P20292 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL3059573 0.91 LYN (0.41) AGTR2LYNCYP11B1CYP11B2ACSS2
SCHEMBL13089641 0.90 AGTR2 (0.37) AGTR2LYNCYP11B1CYP11B2TPH1
SCHEMBL3055143 0.89 AGTR2 (0.36) AGTR2LYNALOX5AP
SCHEMBL13089562 0.89 AGTR2 (0.40) AGTR2LYNCYP11B1CYP11B2TPH1
SCHEMBL3062900 0.89 CYP11B2 (0.44) AGTR2LYNCYP11B1CYP11B2GAA
SCHEMBL3060923 0.86 CYP11B2 (0.35) AGTR2CYP11B1CYP11B2ACSS2LRRK2
SCHEMBL3063000 0.86 LRRK2 (0.42) AGTR2LYNCYP11B1CYP11B2ACSS2
SCHEMBL3055160 0.86 S1PR1 (0.38) AGTR2PDE10A
SCHEMBL3064445 0.85 AGTR2 (0.39) AGTR2LYNACSS2GAAMAPT
SCHEMBL3069896 0.84 LYN (0.37) AGTR2LYN

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 AGTR2 1639/4885LYN 4131/4885CHEK1 4227/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 AGTR2 1639/4885LYN 4131/4885CHEK1 4227/4885

“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.