SCHEMBL3062374

SCHEMBL3062374

Cn1c(Cn2ccnc2-c2ncco2)nc2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
LMNA P02545 1/20 0.38
GLP1R P43220 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
PDE10A Q9Y233 2/20 0.32
RPS6KA5 O75582 1/20 0.31
GAA P10253 1/20 0.31
AOC2 O75106 1/20 0.31
GRM2 Q14416 1/20 0.31
RHEB Q15382 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
SCHEMBL3061362 0.77 MAPT (0.43) PKMLMNAGLP1RKCNH2NPC1
SCHEMBL3407875 0.74 HSD17B10 (0.37) HSD17B10
SCHEMBL3070443 0.73 RPS6KA5 (0.40) PKMHSD17B10NPC1RAB9AMAPT
SCHEMBL3065554 0.69 RPS6KA5 (0.42) PKMNPC1RAB9AMAPTRPS6KA5
SCHEMBL15857985 0.68 RPS6KA5 (0.40) LMNAHSD17B10NPC1RAB9AMAPT
SCHEMBL3049980 0.67 CYP3A4 (0.35) PKMLMNAMAPTRPS6KA5AOC2
SCHEMBL10281995 0.66 MAPT (0.42) PKMLMNANPC1RAB9AMAPT
SCHEMBL5625197 0.65 PDE2A (0.45) PKMLMNAPDE10AGAAGRM2
SCHEMBL3065028 0.65 RPS6KA5 (0.41) PKMNPC1RAB9AMAPTRPS6KA5
SCHEMBL3059853 0.65 RPS6KA5 (0.39) PKMNPC1RAB9AMAPTRPS6KA5

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 9 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
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-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2003-04-10 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 (4 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 PKM 307/4885LMNA 2796/4885GLP1R 1286/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PKM 307/4885LMNA 2796/4885GLP1R 1286/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PKM 307/4885LMNA 2796/4885GLP1R 1286/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 PKM 277/4885LMNA 2370/4885GLP1R 1059/4885

“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.