SCHEMBL3070337

SCHEMBL3070337

CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2ccc(-c3nnc(C)o3)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
APP P05067 1/20 0.32
GLP1R P43220 1/20 0.32
CACNA2D1 P54289 1/20 0.32
PTGS2 P35354 1/20 0.31
SCARB1 Q8WTV0 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ALOX5AP P20292 1/20 0.31
PPARG P37231 2/20 0.31
CSF1R P07333 1/20 0.30
PDE6D O43924 1/20 0.30

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
SCHEMBL3061511 0.93 ALOX5AP (0.36) TP53GRIN1GRIN2BAPPCACNA2D1
SCHEMBL3060465 0.88 GUSB (0.37) TP53GRIN1GRIN2BPTGS2PDE6D
SCHEMBL3059668 0.88 MAPT (0.37) TP53GLP1RPIM1PIM3PIM2
SCHEMBL5624309 0.87 TP53 (0.32) TP53ALOX5AP
SCHEMBL5625989 0.87 TP53 (0.33) TP53APPALOX5APPPARGPDE6D
SCHEMBL3070814 0.86 APP (0.34) TP53GRIN1GRIN2BAPPCACNA2D1
SCHEMBL13089666 0.85 DYRK1A (0.33) TP53
SCHEMBL13089664 0.84 CYP11B2 (0.39) TP53ALOX5AP
SCHEMBL3064978 0.81 MAPT (0.37) TP53PIM1PIM3PIM2ALOX5AP
SCHEMBL5628524 0.81 SCARB1 (0.34) GRIN1GRIN2BPTGS2SCARB1

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 11 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-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-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 TP53 4833/4885GRIN1 231/4885GRIN2B 111/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 TP53 4833/4885GRIN1 231/4885GRIN2B 111/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 TP53 4833/4885GRIN1 231/4885GRIN2B 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.