SCHEMBL3060160

SCHEMBL3060160

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
PTGER4 P35408 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
RPS6KA5 O75582 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
ALOX5AP P20292 3/20 0.34
CYP11B2 P19099 5/20 0.33
CYP11B1 P15538 3/20 0.33
GRM5 P41594 1/20 0.33
GPR6 P46095 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3060616 0.93 PTGER4 (0.33) S1PR1PTGER4KCNH2MCHR1ALOX5AP
SCHEMBL3055265 0.93 PTGER4 (0.36) S1PR1PTGER4HSD17B10HTTRPS6KA5
SCHEMBL3070811 0.91 PDE2A (0.35) S1PR1PTGER4HSD17B10HTTALOX5AP
SCHEMBL3060330 0.90 RPS6KA5 (0.41) HSD17B10RPS6KA5CYP11B2CYP11B1KDM4E
SCHEMBL14368290 0.88 NLRP3 (0.40) HSD17B10RPS6KA5CYP11B2CYP11B1KDM4E
SCHEMBL3065544 0.87 TBXA2R (0.39) HTTRPS6KA5CYP11B2CYP11B1MAPT
SCHEMBL3068687 0.86 DYRK1A (0.38) S1PR1PTGER4HSD17B10HTTALOX5AP
SCHEMBL3064758 0.86 PTGER4 (0.42) S1PR1PTGER4HSD17B10HTTALOX5AP
SCHEMBL3060709 0.86 KDM4E (0.45) HSD17B10HTTRPS6KA5CYP11B2CYP11B1
SCHEMBL3064140 0.85 PTGER4 (0.41) S1PR1PTGER4HSD17B10HTTALOX5AP

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 18 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
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 617/4885PTGER4 1205/4885HSD17B10 1651/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 S1PR1 617/4885PTGER4 1205/4885HSD17B10 1651/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 S1PR1 617/4885PTGER4 1205/4885HSD17B10 1651/4885

“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.