SCHEMBL3067712

SCHEMBL3067712

CCCn1c(Cn2ccnc2-c2ccccn2)nc2cc(C#N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
PTGER4 P35408 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5AP P20292 7/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
GRM5 P41594 1/20 0.38
TP53 P04637 1/20 0.37
FFAR1 O14842 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL3057448 0.92 MEN1 (0.45) METAP2METAP1PTGER4NPC1RAB9A
SCHEMBL3055661 0.91 PTGER4 (0.38) PTGER4MEN1KMT2AALOX5APKDM4E
SCHEMBL3070373 0.90 ALOX5AP (0.37) PTGER4NPC1RAB9AMEN1KMT2A
SCHEMBL3055118 0.89 ALOX5AP (0.37) PTGER4ALOX5APKDM4E
SCHEMBL3059361 0.89 ALOX5AP (0.38) PTGER4ALOX5APKDM4EALDH1A1GLA
SCHEMBL3060208 0.89 PTGER4 (0.35) PTGER4ALOX5APKDM4EALDH1A1GLA
SCHEMBL3055875 0.87 PTGER4 (0.35) PTGER4ALOX5APKDM4EALDH1A1GLA
SCHEMBL3063376 0.86 PTGER4 (0.35) PTGER4KMT2AALOX5APKDM4EALDH1A1
SCHEMBL3060410 0.84 TSHR (0.40) PTGER4MEN1KMT2AALOX5APTP53
SCHEMBL3072571 0.84 PTGER4 (0.39) PTGER4MEN1KMT2AALOX5APKDM4E

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 METAP2 3548/4885METAP1 3657/4885PTGER4 1205/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 METAP2 3548/4885METAP1 3657/4885PTGER4 1205/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 METAP2 3548/4885METAP1 3657/4885PTGER4 1205/4885

“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.