SCHEMBL2658601

SCHEMBL2658601

Cc1nnc(-c2ccccc2F)n2nc(OCc3ncnn3C)c(-c3ccccc3F)c12

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.71
GABRB3 P28472 20/20 0.71
GABRA3 P34903 20/20 0.71
GABRA1 P14867 1/20 0.65

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
SCHEMBL6292580 0.93 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6292893 0.93 GABRG2 (0.73) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6292932 0.89 GABRG2 (0.76) GABRG2GABRB3GABRA3GABRA1
SCHEMBL2658938 0.89 GABRG2 (0.62) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6292963 0.88 GABRG2 (0.60) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6294015 0.88 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6298092 0.84 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6292890 0.84 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA1
SCHEMBL5229372 0.83 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1
SCHEMBL6297291 0.82 GABRG2 (0.48) GABRG2GABRB3GABRA3GABRA1

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 6 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 claimed
US-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-27 US claimed
EP-1282623-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-02-12 EP claimed
WO-2001077111-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-10-18 WO claimed
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

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 7/4885GABRA3 2/4885

“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.