SCHEMBL3060410

SCHEMBL3060410

CCCn1c(Cn2ccnc2-c2cccc(Cl)c2)nc2cc(C#N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
PTGER4 P35408 1/20 0.39
MAPT P10636 2/20 0.38
BRD4 O60885 1/20 0.38
ALOX5AP P20292 5/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B2 P19099 1/20 0.36
GRM2 Q14416 1/20 0.36
S1PR1 P21453 1/20 0.35
PDE6D O43924 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
FNTA P49354 1/20 0.34

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
SCHEMBL3065208 0.93 TSHR (0.45) TSHRPTGER4MAPTBRD4ALOX5AP
SCHEMBL3072571 0.89 PTGER4 (0.39) PTGER4MAPTALOX5APTP53MEN1
SCHEMBL3067681 0.89 ALOX5AP (0.39) PTGER4ALOX5APGRM2S1PR1
SCHEMBL14368841 0.88 CYP11B2 (0.38) PTGER4BRD4ALOX5APTP53CYP11B2
SCHEMBL3059361 0.86 ALOX5AP (0.38) PTGER4ALOX5APTP53CYP11B2GRM2
SCHEMBL3055118 0.86 ALOX5AP (0.37) PTGER4ALOX5APCYP11B2GRM2S1PR1
SCHEMBL14394154 0.86 BRD4 (0.40) MAPTBRD4TP53MEN1CYP1A2
SCHEMBL3064971 0.86 BRD4 (0.40) MAPTBRD4TP53MEN1CYP1A2
SCHEMBL3060392 0.86 TP53 (0.50) MAPTBRD4TP53MEN1CYP1A2
SCHEMBL3055661 0.85 PTGER4 (0.38) PTGER4ALOX5APTP53MEN1KMT2A

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 13 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
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-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-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 TSHR 953/4885PTGER4 1205/4885MAPT 1046/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 TSHR 953/4885PTGER4 1205/4885MAPT 1046/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 TSHR 953/4885PTGER4 1205/4885MAPT 1046/4885

“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.