SCHEMBL2652289

SCHEMBL2652289

CCOC(=O)c1c(-c2ccccc2)cnnc1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.72
GABRG2 P18507 1/20 0.72
GABRB3 P28472 1/20 0.72
GABRA5 P31644 1/20 0.72
GABRA3 P34903 1/20 0.72
ADORA3 P0DMS8 7/20 0.56
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 5/20 0.52
KDM4E B2RXH2 3/20 0.52
GAA P10253 3/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 2/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL2652800 0.84 GABRG2 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29899479 0.84 GABRG2 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31091354 0.79 ADORA3 (0.57) ADORA3ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2653989 0.79 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29618008 0.79 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30189329 0.78 ADORA3 (0.63) ADORA3ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL8556478 0.78 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28335019 0.78 ADORA3 (0.63) ADORA3ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL6121857 0.77 GABRA5 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL397165 0.77 ADORA3 (0.61) ADORA3ALDH1A1SMN1; SMN2MAPTKDM4E

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-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 US claimed
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 GABRA1 5/4885GABRG2 20/4885GABRB3 8/4885

“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.