SCHEMBL3055875

SCHEMBL3055875

CCCn1c(Cn2ccnc2-c2cccc(NC)n2)nc2cc(C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
TP53 P04637 1/20 0.34
S1PR1 P21453 1/20 0.33
ALOX5AP P20292 5/20 0.33
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RORC P51449 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADORA2A P29274 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
SCHEMBL3059361 0.88 ALOX5AP (0.38) PTGER4TP53S1PR1ALOX5APKDM4E
SCHEMBL3060208 0.88 PTGER4 (0.35) PTGER4TP53S1PR1ALOX5APKDM4E
SCHEMBL3067712 0.87 METAP2 (0.40) PTGER4TP53ALOX5APKDM4EALDH1A1
SCHEMBL3070373 0.85 ALOX5AP (0.37) PTGER4TP53ALOX5APKDM4EALDH1A1
SCHEMBL3055661 0.84 PTGER4 (0.38) PTGER4TP53ALOX5APKDM4EALDH1A1
SCHEMBL3055118 0.82 ALOX5AP (0.37) PTGER4S1PR1ALOX5APKDM4ERORC
SCHEMBL3072571 0.81 PTGER4 (0.39) PTGER4TP53ALOX5APKDM4EALDH1A1
SCHEMBL3060410 0.81 TSHR (0.40) PTGER4TP53S1PR1ALOX5APCYP11B2
SCHEMBL3060360 0.80 S1PR1 (0.41) PTGER4S1PR1ALOX5APKDM4EALDH1A1
SCHEMBL3064373 0.80 PTGER4 (0.38) PTGER4S1PR1ALOX5APKDM4EALDH1A1

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 PTGER4 1205/4885TP53 4833/4885S1PR1 617/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PTGER4 1205/4885TP53 4833/4885S1PR1 617/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PTGER4 1205/4885TP53 4833/4885S1PR1 617/4885

“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.