SCHEMBL3065372

SCHEMBL3065372

CCn1c(Cn2ccnc2-c2cccc(F)c2F)nc2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
TP53 P04637 5/20 0.37
MAPT P10636 2/20 0.37
ENPP2 Q13822 2/20 0.35
AKT1 P31749 1/20 0.35
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
SLC6A9 P48067 1/20 0.35
LMNA P02545 2/20 0.34
PDE10A Q9Y233 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 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
SCHEMBL3060329 0.92 TP53 (0.43) CCNE2CCNE1CDK2TP53MAPT
SCHEMBL3061356 0.92 TP53 (0.37) TP53MAPTENPP2SLC6A9LMNA
SCHEMBL3066250 0.88 TP53 (0.38) TP53MAPTENPP2SLC6A9LMNA
SCHEMBL3060621 0.86 TP53 (0.37) TP53MAPTENPP2SLC6A9LMNA
SCHEMBL3060863 0.86 TP53 (0.37) TP53MAPTENPP2AKT1SLC6A9
SCHEMBL3068576 0.86 TP53 (0.38) TP53MAPTENPP2SLC6A9LMNA
SCHEMBL3067157 0.84 TP53 (0.40) TP53MAPTENPP2AKT1SLC6A9
SCHEMBL3062999 0.84 TP53 (0.42) TP53MAPTENPP2PDE10APDE2A
SCHEMBL14368636 0.84 HTR2C (0.41) DYRK1ATP53MAPTENPP2AKT1
SCHEMBL3070588 0.84 TP53 (0.38) TP53MAPTENPP2SLC6A9LMNA

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 DYRK1A 1903/4885CCNE2 3405/4885CCNE1 3251/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 DYRK1A 1903/4885CCNE2 3405/4885CCNE1 3251/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 DYRK1A 1903/4885CCNE2 3405/4885CCNE1 3251/4885

“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.