SCHEMBL3065715

SCHEMBL3065715

CCn1c(Cn2ccnc2-c2cccc(Cl)n2)nc2ccc(Cl)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RPS6KA3 P51812 1/20 0.33
AKT1 P31749 2/20 0.33
AKT2 P31751 2/20 0.33
AKT3 Q9Y243 2/20 0.33
PTGER4 P35408 1/20 0.32
GRM2 Q14416 1/20 0.31
BRD4 O60885 1/20 0.31
HSD17B10 Q99714 1/20 0.30
MAPT P10636 2/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 2/20 0.30
S1PR1 P21453 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL3059297 0.91 LMNA (0.32) CDK9DYRK1ADYRK2LMNAL3MBTL1
SCHEMBL3065387 0.90 S1PR1 (0.39) LMNAMAPTS1PR1
SCHEMBL3055173 0.86 RPS6KA3 (0.33) LMNAL3MBTL1RPS6KA3GRM2BRD4
SCHEMBL3065280 0.84 ALDH1A1 (0.37) LMNABRD4HSD17B10MAPTALDH1A1
SCHEMBL3060479 0.83 GRM2 (0.34) CDK9DYRK1ADYRK2LMNAL3MBTL1
SCHEMBL3065014 0.81 TP53 (0.45) LMNABRD4MAPTKDM4E
SCHEMBL3064896 0.80 PDE2A (0.33) CDK9DYRK1ADYRK2LMNAL3MBTL1
SCHEMBL13089463 0.79 PDE8A (0.31) GRM2HSD17B10ALDH1A1
SCHEMBL3060360 0.79 S1PR1 (0.41) PTGER4GRM2HSD17B10HTTKDM4E
SCHEMBL3060665 0.78 KMT2A (0.44) LMNAHSD17B10MAPTHTTSMN1; SMN2

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 16 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-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 CDK9 1695/4885DYRK1A 1903/4885DYRK2 1179/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 CDK9 1695/4885DYRK1A 1903/4885DYRK2 1179/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 CDK9 1695/4885DYRK1A 1903/4885DYRK2 1179/4885

“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.