SCHEMBL2658685

SCHEMBL2658685

Cc1ccc(S(=O)(=O)Oc2nn3c(-c4ccccc4)nnc(C)c3c2C2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.41
GABRB3 P28472 18/20 0.41
GABRA5 P31644 18/20 0.41
GABRA1 P14867 17/20 0.41
GABRA3 P34903 17/20 0.41
GABRA2 P47869 17/20 0.41
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL6292592 0.87 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2657167 0.77 KEAP1 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6294045 0.71 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2657024 0.69 KEAP1 (0.40) GABRG2GABRB3GABRA1GABRA3HPGD
SCHEMBL6294012 0.65 KEAP1 (0.39) GABRG2GABRB3GABRA3GAAHPGD
SCHEMBL10179980 0.64 HTR6 (0.63) GAAHPGD
SCHEMBL2658331 0.63 ENPP3 (0.42) KEAP1NFE2L2
SCHEMBL9958221 0.63 HTR6 (0.62) GAAHPGD
SCHEMBL6294072 0.63 KEAP1 (0.36) GABRG2GABRB3GABRA3KEAP1NFE2L2
SCHEMBL2658993 0.63 ENPP3 (0.39) GAAKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872720-B2 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. 2005-03-29 US disclosed
US-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-27 US disclosed
EP-1282623-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-02-12 EP disclosed
WO-2001077111-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-10-18 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 (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-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors GABRA5, GABRA3, GABRA4 GABRG2 15/4885GABRB3 7/4885GABRA5 1/4885

“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.