SCHEMBL3067157

SCHEMBL3067157

CCn1c(Cn2ccnc2-c2ccc(F)cc2F)nc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
MAPT P10636 3/20 0.40
SLC6A9 P48067 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
ENPP2 Q13822 7/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDE4B Q07343 1/20 0.35
THRB P10828 1/20 0.35
AKT1 P31749 1/20 0.34

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
SCHEMBL3057871 0.90 TP53 (0.40) TP53MAPTSLC6A9L3MBTL1LMNA
SCHEMBL3060863 0.90 TP53 (0.37) TP53MAPTSLC6A9LMNAPOLB
SCHEMBL3066250 0.89 TP53 (0.38) TP53MAPTSLC6A9LMNAPOLB
SCHEMBL3061356 0.87 TP53 (0.37) TP53MAPTSLC6A9LMNAPOLB
SCHEMBL3050718 0.86 AKT1 (0.42) TP53MAPTSLC6A9SMN1; SMN2LMNA
SCHEMBL3062999 0.86 TP53 (0.42) TP53MAPTENPP2PDE4BTHRB
SCHEMBL13089056 0.84 ENPP2 (0.40) TP53MAPTSLC6A9LMNAPOLB
SCHEMBL3065372 0.84 DYRK1A (0.38) TP53MAPTSLC6A9SMN1; SMN2LMNA
SCHEMBL3069910 0.84 TP53 (0.40) TP53MAPTSLC6A9LMNAPOLB
SCHEMBL3065139 0.84 TP53 (0.41) TP53MAPTSLC6A9LMNAPOLB

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 TP53 4833/4885MAPT 1046/4885SLC6A9 3605/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 TP53 4833/4885MAPT 1046/4885SLC6A9 3605/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 TP53 4833/4885MAPT 1046/4885SLC6A9 3605/4885

“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.