SCHEMBL2653098

SCHEMBL2653098

Fc1c(-c2cccnc2)cccc1-c1cnnc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.53
GABRB3 P28472 13/20 0.53
GABRA5 P31644 13/20 0.53
GABRA3 P34903 13/20 0.53
GABRA1 P14867 7/20 0.53
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 3/20 0.44
CYP17A1 P05093 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KCNA5 P22460 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL2653114 0.87 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4855823 0.82 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652941 0.81 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653411 0.81 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA3GABRA1
Pyridazine SCHEMBL4034767 0.78 GABRG2 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653191 0.75 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL5940562 0.71 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL23061396 0.71 CYP2A6 (0.60) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654763 0.71 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL221868 0.71 GABRG2 (1.00) 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 6 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-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.