SCHEMBL3065117

SCHEMBL3065117

CCOC(=O)c1cn(-c2ccc3c(c2)nc(Cn2ccnc2-c2cccc(F)c2)n3CC)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 2/20 0.38
NLRP3 Q96P20 1/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 1/20 0.37
ESRRA P11474 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 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
SCHEMBL3064263 0.88 CA1 (0.39) SMN1; SMN2CA1CA2CA9CA12
SCHEMBL13547822 0.82 MAPT (0.38) MAPTNPSR1NPC1NLRP3HPGD
SCHEMBL3049258 0.80 CYP11B1 (0.40) MAPTNPSR1NLRP3HPGDKMT2A
SCHEMBL3068455 0.80 THRB (0.52) MAPTHPGDKMT2AMEN1HSD17B10
SCHEMBL3064366 0.80 KMT2A (0.43) MAPTNPSR1NPC1NLRP3HPGD
SCHEMBL3064825 0.79 KMT2A (0.37) SMN1; SMN2MAPTNPC1HPGDKMT2A
SCHEMBL3060755 0.79 KMT2A (0.50) MAPTNPSR1NPC1NLRP3HPGD
SCHEMBL3060444 0.79 KDM4E (0.42) MAPTNPSR1NPC1NLRP3HPGD
SCHEMBL3065540 0.79 MAPT (0.38) SMN1; SMN2MAPTNPSR1NLRP3HPGD
SCHEMBL3059951 0.78 KDM4E (0.45) MAPTNPSR1NLRP3HPGDKMT2A

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 7 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-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 SMN1; SMN2 1724/4885CA1 3433/4885CA2 2212/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 SMN1; SMN2 1724/4885CA1 3433/4885CA2 2212/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 SMN1; SMN2 1724/4885CA1 3433/4885CA2 2212/4885

“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.