SCHEMBL3060671

SCHEMBL3060671

Fc1ccc(-c2ncc[nH]2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.44
MTOR P42345 1/20 0.44
ADK P55263 1/20 0.44
F2RL1 P55085 12/20 0.43
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CASP6 P55212 1/20 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
SCHEMBL1436578 0.85 CSNK1A1 (0.46) NISCHMTORADKF2RL1CSNK1A1
SCHEMBL1396313 0.82 NISCH (0.38) NISCHMTORADKF2RL1CSNK1A1
SCHEMBL27863493 0.77 CASP6 (0.46) NISCHMTORADKF2RL1CSNK1A1
SCHEMBL29985833 0.76 NISCH (0.53) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL1289114 0.76 NISCH (0.53) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL8541383 0.76 KMO (0.43) NISCHMTORADKF2RL1CSNK1A1
SCHEMBL1688439 0.74 CASP6 (0.47) NISCHMTORADKF2RL1CASP6
SCHEMBL2652063 0.74 MC4R (0.48) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL31429688 0.74 CSNK1A1 (0.44) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL8541207 0.74 MC4R (0.48) NISCHMTORADKF2RL1CSNK1A1

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 21 patents — showing the first 20. 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-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-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
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP disclosed
US-6936617-B2 Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands NEUROGEN CORPORATION (US) 2005-08-30 US disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
EP-1406906-A1 HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2004-04-14 EP disclosed
EP-1368342-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2003-12-10 EP disclosed
US-20030207885-A1 Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands NEUROGEN CORPORATION 2003-11-06 US disclosed
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2003-04-10 US disclosed
WO-2003006471-A1 HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-01-23 WO disclosed
WO-2003006471-A1 HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-01-23 WO disclosed
WO-2002050062-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2002-06-27 WO 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 (5 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 NISCH 1649/4885MTOR 2172/4885ADK 1396/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 NISCH 1649/4885MTOR 2172/4885ADK 1396/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 NISCH 1649/4885MTOR 2172/4885ADK 1396/4885
US-20030207885-A1 Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands GABRA5, GABRA2, GABBR1 NISCH 2114/4885MTOR 1949/4885ADK 1824/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 NISCH 1883/4885MTOR 2089/4885ADK 1534/4885

“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.