SCHEMBL3063376

SCHEMBL3063376

CCCn1c(Cn2ccnc2-c2ncccc2F)nc2cc(C#N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ALOX5AP P20292 4/20 0.33
TP53 P04637 1/20 0.33
ADORA2B P29275 1/20 0.32
GRM2 Q14416 1/20 0.32
KMT2A Q03164 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
GLP1R P43220 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
SCHEMBL3064266 0.93 PTGER4 (0.38) PTGER4CYP11B2KDM4EALDH1A1GLA
SCHEMBL3055661 0.87 PTGER4 (0.38) PTGER4CYP11B2KDM4ELMNAALDH1A1
SCHEMBL13089683 0.87 PTGER4 (0.33) PTGER4GAATP53
SCHEMBL3060208 0.86 PTGER4 (0.35) PTGER4CYP11B2KDM4EALDH1A1GLA
SCHEMBL3067712 0.86 METAP2 (0.40) PTGER4KDM4EALDH1A1GLAGAA
SCHEMBL3060616 0.84 PTGER4 (0.33) PTGER4KDM4EALDH1A1GLAGAA
SCHEMBL3072571 0.84 PTGER4 (0.39) PTGER4CYP11B2KDM4EALDH1A1GLA
SCHEMBL3067681 0.83 ALOX5AP (0.39) PTGER4ALOX5APGRM2JAK2JAK1
SCHEMBL3061515 0.83 PTGER4 (0.37) PTGER4CYP11B2KDM4EALDH1A1GLA
SCHEMBL3059361 0.81 ALOX5AP (0.38) PTGER4CYP11B2KDM4ELMNAALDH1A1

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 14 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-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 1205/4885CYP11B2 47/4885KDM4E 1996/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PTGER4 1205/4885CYP11B2 47/4885KDM4E 1996/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PTGER4 1205/4885CYP11B2 47/4885KDM4E 1996/4885

“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.