SCHEMBL2652508

SCHEMBL2652508

COc1ccc(-c2cc(-c3cccc(-c4ccc(F)cc4C#N)c3)cnn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 11/20 0.56
GABRB3 P28472 11/20 0.56
GABRA5 P31644 11/20 0.56
GABRA3 P34903 11/20 0.56
GABRA1 P14867 3/20 0.46
SQOR Q9Y6N5 3/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2652318 0.88 GABRG2 (0.62) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654339 0.85 GABRG2 (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2655128 0.79 GABRG2 (0.73) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654174 0.78 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2651735 0.78 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4035382 0.78 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652837 0.77 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2655199 0.77 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4854386 0.75 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654979 0.74 GABRG2 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA1

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 8/4885GABRA5 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.