SCHEMBL2653258

SCHEMBL2653258

O=c1cc(-c2ccc(F)c(-c3ncc(F)cc3F)c2)cn[nH]1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 15/20 0.57
GABRB3 P28472 15/20 0.57
GABRA5 P31644 15/20 0.57
GABRA3 P34903 15/20 0.57
GABRA1 P14867 11/20 0.57
GABRA2 P47869 3/20 0.57
HTR5A P47898 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTR3A P46098 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL2652467 0.83 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652776 0.75 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2651661 0.73 GABRA1 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL1691424 0.73 HTR3A (0.45) CYP11B2HTR3AHRH3TRPA1
SCHEMBL2653096 0.73 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652803 0.72 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653933 0.72 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652023 0.71 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652699 0.71 GABRA1 (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652153 0.71 PDE3B (0.44) TRPA1

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
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.