SCHEMBL4851099

SCHEMBL4851099

N#Cc1ccccc1-c1cccc(-c2cnnc(-c3ccccc3)c2)n1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 15/20 0.75
GABRB3 P28472 15/20 0.75
GABRA3 P34903 14/20 0.75
GABRA5 P31644 13/20 0.75
GABRA1 P14867 8/20 0.56
ATR Q13535 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GABRA2 P47869 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
SCHEMBL4851113 0.87 GABRG2 (0.60) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL4854386 0.87 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL23296289 0.86 KMT2A (0.57) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL31663534 0.86 KMT2A (0.57) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL4851447 0.84 GABRG2 (0.70) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL31663620 0.77 GABRG2 (0.67) GABRG2GABRB3GABRA3GABRA5MEN1
SCHEMBL2652644 0.72 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL31663524 0.71 GABRG2 (0.55) GABRG2GABRB3GABRA3GABRA5ATR
SCHEMBL2652318 0.71 GABRG2 (0.62) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL2652546 0.71 GABRG2 (0.58) GABRG2GABRB3GABRA3GABRA5GABRA1

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
US-7381725-B2 Pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2008-06-03 US claimed
US-20060148809-A1 Pyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-07-06 US claimed
EP-1532136-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP claimed
WO-2004014891-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 WO claimed
US-7381725-B2 Pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2008-06-03 US disclosed
US-20060148809-A1 Pyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-07-06 US disclosed
EP-1532136-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
WO-2004014891-A1 PYRIDAZINE 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-20060148809-A1 Pyridazine derivatives as ligands for gaba receptors GABRA5, GABRA3, GABRA2 GABRG2 15/4885GABRB3 6/4885GABRA3 2/4885

“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.