SCHEMBL2659908

SCHEMBL2659908

Cn1ncnc1COc1cccc(-c2cnnc(-c3ccccc3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 1.00
GABRB3 P28472 20/20 1.00
GABRA3 P34903 20/20 1.00
GABRA1 P14867 8/20 1.00
GABRA5 P31644 7/20 1.00
GABRA2 P47869 1/20 0.45

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
SCHEMBL2658752 0.84 GABRG2 (0.72) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2653580 0.75 GABRG2 (0.60) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2654106 0.75 GABRG2 (0.72) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2653103 0.71 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL21117486 0.69 GABRG2 (0.68) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL221868 0.68 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL7197657 0.68 GABRG2 (0.54) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL5232541 0.66 GABRG2 (0.80) GABRG2GABRB3GABRA3GABRA1
SCHEMBL2653543 0.65 GABRG2 (0.71) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2654763 0.64 GABRG2 (0.70) GABRG2GABRB3GABRA3GABRA1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532120-B1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2009-01-14 EP claimed
US-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 US claimed
EP-1532120-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP claimed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 WO claimed
EP-1532120-B1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2009-01-14 EP disclosed
US-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 US disclosed
EP-1532120-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 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-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors GABRA5, GABRA2, GABRA3 GABRG2 20/4885GABRB3 8/4885GABRA3 3/4885

“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.