SCHEMBL2652885

SCHEMBL2652885

Fc1ccc(-c2cnnc(-c3ccccc3)c2)cc1OCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.47
GABRG2 P18507 12/20 0.45
GABRB3 P28472 12/20 0.45
GABRA5 P31644 12/20 0.45
GABRA3 P34903 12/20 0.45
GABRA1 P14867 8/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP19A1 P11511 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
KDM4C Q9H3R0 1/20 0.40
LRRK2 Q5S007 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
SCHEMBL2653762 0.89 GABRG2 (0.47) IKBKBGABRG2GABRB3GABRA5GABRA3
SCHEMBL2652941 0.77 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653420 0.76 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2658752 0.76 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2660431 0.74 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
Pyridazine SCHEMBL4034767 0.74 GABRG2 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4855823 0.72 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653411 0.71 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652630 0.71 GABRG2 (0.64) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL6845399 0.71 MRGPRX4 (0.55) HTR1ADRD2CYP11B1CYP11B2KDM4C

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 8 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-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 IKBKB 2464/4885GABRG2 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.