SCHEMBL2653383

SCHEMBL2653383

N#Cc1cc(F)ccc1-c1cccc(-c2cn[nH]c(=O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.48
WDR77 Q9BQA1 3/20 0.48
TRPA1 O75762 1/20 0.42
ABL1 P00519 1/20 0.41
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GRM5 P41594 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NLRP3 Q96P20 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL2651661 0.84 GABRA1 (0.51) PRMT5WDR77ABL1GABRG2GABRB3
SCHEMBL4716316 0.76 IDO1 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4035382 0.75 GABRG2 (0.51) PRMT5WDR77ABL1GABRG2GABRB3
SCHEMBL2652274 0.75 GABRA1 (0.52) PRMT5WDR77TRPA1GABRG2GABRB3
SCHEMBL2652699 0.74 GABRA1 (0.50) PRMT5WDR77TRPA1GABRG2GABRB3
SCHEMBL2652318 0.74 GABRG2 (0.62) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL2654339 0.73 GABRG2 (0.50) PRMT5WDR77ABL1GABRG2GABRB3
SCHEMBL2652837 0.72 GABRG2 (0.51) PRMT5WDR77ABL1GABRG2GABRB3
SCHEMBL1691424 0.71 HTR3A (0.45) TRPA1CYP11B2
SCHEMBL4780146 0.71 ADORA1 (0.46) ALDH1A1NPSR1TDP1

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 PRMT5 882/4885WDR77 4120/4885TRPA1 994/4885

“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.