SCHEMBL2653947

SCHEMBL2653947

Oc1cc(-c2cnnc(-c3ccccc3)c2)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.62
GABRB3 P28472 18/20 0.62
GABRA5 P31644 18/20 0.62
GABRA3 P34903 18/20 0.62
GABRA1 P14867 8/20 0.62
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
GABRA2 P47869 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.43

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
SCHEMBL2652941 0.79 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653420 0.78 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653236 0.78 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652630 0.78 GABRG2 (0.64) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL221868 0.78 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3625237 0.78 HSD17B1 (0.74) HSD17B1HSD17B2
SCHEMBL2654763 0.78 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652903 0.77 GABRG2 (0.55) GABRG2GABRB3GABRA5GABRA3GABRA1
Pyridazine SCHEMBL4034767 0.76 GABRG2 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654358 0.74 GABRG2 (0.62) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.