SCHEMBL3059574

SCHEMBL3059574

CCn1c(Cn2ccnc2-c2cccc(C#N)c2)nc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.39
IDH1 O75874 1/20 0.37
KCNH2 Q12809 3/20 0.37
PTGER4 P35408 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CNR1 P21554 1/20 0.35
NPC1 O15118 2/20 0.35
NLRP3 Q96P20 1/20 0.35
DDR1 Q08345 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 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
SCHEMBL3070578 0.93 PGGT1B (0.40) IDH1KCNH2PTGER4HTTHSD17B10
SCHEMBL3070797 0.88 PTGER4 (0.44) ALOX5APPTGER4HTTHSD17B10MAPT
SCHEMBL3065899 0.86 CYP11B2 (0.39) ALOX5APKCNH2PTGER4HTTHSD17B10
SCHEMBL3050242 0.84 PTGER4 (0.38) ALOX5APPTGER4HTTHSD17B10MAPT
SCHEMBL3064900 0.84 GRIN2B (0.41) IDH1PTGER4HTTHSD17B10GAA
SCHEMBL3067511 0.83 MAPT (0.41) ALOX5APKCNH2HSD17B10MAPTGAA
SCHEMBL3067696 0.83 PTGER4 (0.43) ALOX5APPTGER4HTTHSD17B10MAPT
SCHEMBL3062937 0.83 PTGER4 (0.38) ALOX5APPTGER4HTTHSD17B10PDE6D
SCHEMBL13089238 0.83 PTGER4 (0.39) ALOX5APPTGER4HTTHSD17B10MAPT
SCHEMBL3064140 0.83 PTGER4 (0.41) ALOX5APPTGER4HTTHSD17B10MAPT

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 15 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 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 ALOX5AP 3937/4885IDH1 437/4885KCNH2 552/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 ALOX5AP 3937/4885IDH1 437/4885KCNH2 552/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 ALOX5AP 3937/4885IDH1 437/4885KCNH2 552/4885

“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.