SCHEMBL2653379

SCHEMBL2653379

FC(F)(F)c1cccc(-c2cnnc(-c3ccccc3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.64
GABRB3 P28472 10/20 0.64
GABRA5 P31644 10/20 0.64
GABRA3 P34903 10/20 0.64
GABRA1 P14867 5/20 0.64
MAOB P27338 1/20 0.48
SCN2A Q99250 1/20 0.48
IDO1 P14902 1/20 0.48
NOTUM Q6P988 1/20 0.48
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL27812705 0.82 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL10538552 0.79 NOTUM (0.49) MAOBSCN2AIDO1NOTUMADORA2A
SCHEMBL221868 0.79 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654763 0.79 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8740121 0.78 IDO1 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8740145 0.78 IDO1 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL10836184 0.78 KDM4E (0.53) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8740185 0.78 IDO1 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
Formaldehyde SCHEMBL27858663 0.78 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL29420699 0.77 KIF11 (0.62) MAOBSCN2AIDO1NOTUMADORA2A

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
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
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.