SCHEMBL3070811

SCHEMBL3070811

CCn1c(Cn2ccnc2-c2cc(Br)ccc2F)nc2cc(C#N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.35
S1PR1 P21453 1/20 0.35
PTGER4 P35408 1/20 0.35
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
CYP11B2 P19099 4/20 0.33
CYP11B1 P15538 2/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
GRM5 P41594 1/20 0.32
ALOX5AP P20292 2/20 0.32
TBXA2R P21731 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 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
SCHEMBL3060160 0.91 S1PR1 (0.36) S1PR1PTGER4HSD17B10HTTCYP11B2
SCHEMBL3068687 0.85 DYRK1A (0.38) S1PR1PTGER4HSD17B10HTTCYP11B2
SCHEMBL3064758 0.84 PTGER4 (0.42) S1PR1PTGER4HSD17B10HTTCYP11B2
SCHEMBL3060616 0.84 PTGER4 (0.33) PDE2AS1PR1PTGER4GRM5ALOX5AP
SCHEMBL3050535 0.84 PTGER4 (0.41) S1PR1PTGER4HSD17B10HTTCYP11B2
SCHEMBL3055265 0.84 PTGER4 (0.36) PDE2AS1PR1PTGER4HSD17B10HTT
SCHEMBL3055678 0.83 S1PR1 (0.36) S1PR1PTGER4HSD17B10HTTCYP11B2
SCHEMBL3064266 0.82 PTGER4 (0.38) S1PR1PTGER4HSD17B10HTTCYP11B2
SCHEMBL3050242 0.82 PTGER4 (0.38) PTGER4HSD17B10HTTCYP11B2PIK3R1
SCHEMBL3065501 0.81 PTGER4 (0.41) S1PR1PTGER4HSD17B10HTTCYP11B2

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 PDE2A 2564/4885S1PR1 617/4885PTGER4 1205/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PDE2A 2564/4885S1PR1 617/4885PTGER4 1205/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PDE2A 2564/4885S1PR1 617/4885PTGER4 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.