SCHEMBL2688352

SCHEMBL2688352

Cc1nnn(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.54
GABRG2 P18507 10/20 0.54
GABRB3 P28472 10/20 0.54
KCNH2 Q12809 5/20 0.54
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL30282901 1.00 GABRA5 (0.54) GABRA5GABRG2GABRB3KCNH2PTGS2
SCHEMBL25045396 0.90 GABRA5 (0.44) GABRA5GABRG2GABRB3KCNH2PTGS2
SCHEMBL25044752 0.90 GABRA5 (0.44) GABRA5GABRG2GABRB3KCNH2ALDH1A1
SCHEMBL25045401 0.88 GABRA5 (0.43) GABRA5GABRG2GABRB3KCNH2
SCHEMBL30283019 0.88 GABRA5 (0.43) GABRA5GABRG2GABRB3KCNH2
SCHEMBL30236918 0.88 GABRA5 (0.41) GABRA5GABRG2GABRB3KCNH2ALDH1A1
SCHEMBL25045281 0.88 GABRA5 (0.41) GABRA5GABRG2GABRB3KCNH2ALDH1A1
SCHEMBL21623964 0.87 GABRA5 (0.43) GABRA5GABRG2GABRB3KCNH2
SCHEMBL25044792 0.87 GABRA5 (0.43) GABRA5GABRG2GABRB3KCNH2
SCHEMBL30282856 0.87 GABRA5 (0.43) GABRA5GABRG2GABRB3KCNH2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP claimed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US claimed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
CN-103221402-A Triazole derivatives and their use for neurological disorders HOFFMANN LA ROCHE 2013-07-24 CN claimed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 US claimed
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 CN disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
CN-103221402-A Triazole derivatives and their use for neurological disorders HOFFMANN LA ROCHE 2013-07-24 CN disclosed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 US disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 US disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 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 (1 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-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I GABRA5, GABRA3, GABRA1 GABRA5 1/4885GABRG2 28/4885GABRB3 5/4885

“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.