SCHEMBL3072999

SCHEMBL3072999

CCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2ccc(-c3noc(CC)n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.42
ADORA1 P30542 2/20 0.42
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
RAB9A P51151 5/20 0.38
KMT2A Q03164 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
NPC1 O15118 3/20 0.34
BRD4 O60885 1/20 0.34
PDE6D O43924 1/20 0.34
TP53 P04637 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
THRB P10828 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
SCHEMBL3069881 0.92 ADORA2B (0.38) ADORA2BADORA1HDAC1HDAC8HDAC6
SCHEMBL3067300 0.87 PDE6D (0.35) ADORA2BADORA1HDAC1HDAC8HDAC6
SCHEMBL3061134 0.82 GRM5 (0.40) BRD4PDE6DTP53
SCHEMBL3060465 0.82 GUSB (0.37) HDAC6PDE6DTP53
SCHEMBL3060417 0.82 TP53 (0.50) RAB9AKMT2AL3MBTL1PDE6DTP53
SCHEMBL3065459 0.81 NOTUM (0.44) RAB9AKMT2APDE6DTP53SMN1; SMN2
SCHEMBL3054928 0.80 TP53 (0.41) KMT2APDE6DTP53
SCHEMBL3072686 0.79 GRIN2B (0.38) KMT2ABRD4TP53
SCHEMBL3068007 0.78 L3MBTL1 (0.39) HDAC1HDAC8HDAC6RAB9AKMT2A
SCHEMBL3049300 0.78 TP53 (0.39) BRD4TP53

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 ADORA2B 131/4885ADORA1 169/4885HDAC1 1022/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 ADORA2B 131/4885ADORA1 169/4885HDAC1 1022/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 ADORA2B 131/4885ADORA1 169/4885HDAC1 1022/4885

“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.