SCHEMBL2653323

SCHEMBL2653323

N#Cc1ccccc1-c1ccc(F)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.56
FEN1 P39748 2/20 0.56
ESR2 Q92731 1/20 0.50
TRPA1 O75762 1/20 0.46
BRD4 O60885 1/20 0.44
NR3C1 P04150 1/20 0.44
PTPN5 P54829 1/20 0.43
AR P10275 4/20 0.43
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL7023813 0.84 ESR2 (0.55) ALOX5APFEN1ESR2TRPA1NR3C1
SCHEMBL6218205 0.80 ESR2 (0.50) ALOX5APFEN1ESR2TRPA1NR3C1
SCHEMBL22115307 0.80 CYP11B2 (0.52) ALOX5APFEN1ESR2TRPA1NR3C1
SCHEMBL21960122 0.79 ALOX5AP (0.55) ALOX5APFEN1ESR2TRPA1NR3C1
SCHEMBL15250336 0.78 BACE1 (0.53) ALOX5APFEN1ESR2TRPA1BRD4
SCHEMBL3787019 0.78 ALDH1A1 (0.52) ALOX5APFEN1ESR2BRD4ALDH1A1
SCHEMBL1372803 0.77 ALOX5AP (0.52) ALOX5APFEN1ESR2TRPA1NR3C1
SCHEMBL5845273 0.77 ESR2 (0.59) ALOX5APFEN1ESR2TRPA1BRD4
SCHEMBL27336410 0.76 ALOX5AP (0.52) ALOX5APFEN1ESR2TRPA1NR3C1
SCHEMBL24085014 0.76 ESR2 (0.52) ALOX5APFEN1ESR2TRPA1NR3C1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 ALOX5AP 3976/4885FEN1 2493/4885ESR2 1914/4885

“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.