SCHEMBL3060360

SCHEMBL3060360

CCn1c(Cn2ccnc2-c2cccc(Cl)n2)nc2cc(C#N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
ALOX5AP P20292 9/20 0.39
CYP11B2 P19099 2/20 0.39
PTGER4 P35408 1/20 0.38
GRM2 Q14416 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 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
SCHEMBL3059361 0.93 ALOX5AP (0.38) S1PR1ALOX5APCYP11B2PTGER4GRM2
SCHEMBL3064373 0.89 PTGER4 (0.38) S1PR1ALOX5APCYP11B2PTGER4HTT
SCHEMBL3057448 0.88 MEN1 (0.45) S1PR1ALOX5APCYP11B2PTGER4HTT
SCHEMBL3067909 0.87 CYP11B2 (0.41) S1PR1ALOX5APCYP11B2PTGER4HTT
SCHEMBL3065208 0.86 TSHR (0.45) S1PR1ALOX5APCYP11B2PTGER4ALDH1A1
SCHEMBL3070797 0.85 PTGER4 (0.44) S1PR1ALOX5APCYP11B2PTGER4HTT
SCHEMBL3065501 0.85 PTGER4 (0.41) S1PR1ALOX5APCYP11B2PTGER4HTT
SCHEMBL3067696 0.85 PTGER4 (0.43) S1PR1ALOX5APCYP11B2PTGER4HTT
SCHEMBL3055802 0.83 PTGER4 (0.38) S1PR1ALOX5APCYP11B2PTGER4HTT
SCHEMBL3064140 0.82 PTGER4 (0.41) S1PR1ALOX5APCYP11B2PTGER4HTT

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 S1PR1 617/4885ALOX5AP 3937/4885CYP11B2 47/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 S1PR1 617/4885ALOX5AP 3937/4885CYP11B2 47/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 S1PR1 617/4885ALOX5AP 3937/4885CYP11B2 47/4885

“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.