SCHEMBL2684032

SCHEMBL2684032

Cc1nc(/C=C/c2c(C)nnn2-c2ccc(F)cc2)sc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 7/20 0.74
LMNA P02545 1/20 0.43
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL2684034 1.00 GABRA5 (0.74) GABRA5LMNAPTGS2SMN1; SMN2ALDH1A1
SCHEMBL2685727 0.86 GABRA5 (1.00) GABRA5LMNAPTGS2RAB9AMAPT
SCHEMBL2685719 0.86 GABRA5 (1.00) GABRA5LMNAPTGS2RAB9AMAPT
SCHEMBL2685723 0.84 GABRA5 (0.73) GABRA5LMNAPTGS2SMN1; SMN2ALDH1A1
SCHEMBL4402982 0.80 GABRA5 (1.00) GABRA5GABRG2GABRB3KCNH2PPARA
SCHEMBL2685279 0.78 GABRA5 (0.77) GABRA5SMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL2685284 0.78 GABRA5 (0.77) GABRA5SMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL2685481 0.71 PTGS2 (0.49) GABRA5LMNAPTGS2SMN1; SMN2ALDH1A1
SCHEMBL13754468 0.70 PTGS2 (0.55) GABRA5LMNAPTGS2CA1CA2
SCHEMBL9730326 0.67 HMGCR (0.51) GABRA5PTGS2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638035-B1 Triazole derivatives as ligands for Gaba receptors HOFFMANN LA ROCHE (CH) 2014-12-17 EP claimed
US-8697696-B2 Triazole compounds II ROCHE PALO ALTO LLC (US) 2014-04-15 US claimed
EP-2638035-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
CN-103189370-A Triazole derivatives as ligands for GABA receptors HOFFMANN LA ROCHE 2013-07-03 CN claimed
WO-2012062623-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 US claimed
EP-2638035-B1 Triazole derivatives as ligands for Gaba receptors HOFFMANN LA ROCHE (CH) 2014-12-17 EP disclosed
US-8697696-B2 Triazole compounds II ROCHE PALO ALTO LLC (US) 2014-04-15 US disclosed
EP-2638035-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
CN-103189370-A Triazole derivatives as ligands for GABA receptors HOFFMANN LA ROCHE 2013-07-03 CN disclosed
WO-2012062623-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II 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-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II GABRA5, GABRA1, GABRA3 GABRA5 1/4885LMNA 4532/4885PTGS2 3000/4885

“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.