SCHEMBL3059646

SCHEMBL3059646

CCCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)nc2cnccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 2/20 0.37
TGFBR1 P36897 4/20 0.37
GRIN2B Q13224 3/20 0.35
GRIN1 Q05586 1/20 0.35
GRM2 Q14416 2/20 0.35
TP53 P04637 2/20 0.34
CYP17A1 P05093 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 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
SCHEMBL3060407 0.87 RPS6KA5 (0.37) RPS6KA5TGFBR1GRM2TP53NPC1
SCHEMBL14368292 0.87 RPS6KA5 (0.38) RPS6KA5TGFBR1GRM2TP53NPC1
SCHEMBL3067519 0.85 GRM2 (0.39) RPS6KA5TGFBR1GRM2TP53NPC1
SCHEMBL3065381 0.83 TP53 (0.43) TGFBR1TP53MAPT
SCHEMBL3062910 0.83 GRIN2B (0.42) GRIN2BGRIN1
SCHEMBL3050704 0.83 RPS6KA5 (0.41) RPS6KA5GRM2TP53NPC1MAPT
SCHEMBL3059860 0.83 CTSS (0.38) RPS6KA5GRM2TP53NPC1MAPT
SCHEMBL3064975 0.82 BRD4 (0.39) RPS6KA5GRM2TP53MAPT
SCHEMBL13548147 0.81 GRM2 (0.48) GRM2NPC1MAPTCASP1RAB9A
SCHEMBL3049300 0.80 TP53 (0.39) RPS6KA5GRIN2BGRIN1TP53MAPT

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
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 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-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 RPS6KA5 2860/4885TGFBR1 1411/4885GRIN2B 111/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 RPS6KA5 2860/4885TGFBR1 1411/4885GRIN2B 111/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 RPS6KA5 2860/4885TGFBR1 1411/4885GRIN2B 111/4885

“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.