SCHEMBL6549181

SCHEMBL6549181

Nc1nc2ncn(Cc3ccc4ccccc4c3)c2c(=O)n1Cc1ccc2nonc2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.38
CFTR P13569 1/20 0.38
ALOX5AP P20292 1/20 0.38
ADORA2A P29274 1/20 0.38
GAA P10253 2/20 0.37
MET P08581 2/20 0.37
HIF1A Q16665 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
VDR P11473 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.33

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
SCHEMBL6797064 0.90 GAA (0.43) TRPA1ADORA2AGAAMETHIF1A
SCHEMBL7112394 0.85 ADORA2A (0.39) TRPA1CFTRALOX5APADORA2AGAA
SCHEMBL6796275 0.83 KMT2A (0.47) TRPA1GAAHIF1AALDH1A1SMN1; SMN2
SCHEMBL6801426 0.83 MCHR1 (0.39) TRPA1ADORA2AGAAMETHIF1A
SCHEMBL6549287 0.82 GAA (0.40) TRPA1ADORA2AGAAMETHIF1A
SCHEMBL6547901 0.82 GAA (0.39) TRPA1ALOX5APADORA2AGAAMET
SCHEMBL6549488 0.82 PDE5A (0.45) GAAHIF1AALDH1A1SMN1; SMN2POLB
SCHEMBL6550065 0.82 MMP13 (0.42) TRPA1ADORA2AGAAHIF1AALDH1A1
SCHEMBL6548972 0.82 GAA (0.41) GAAALDH1A1SMN1; SMN2
SCHEMBL6549145 0.81 GAA (0.52) TRPA1GAAALDH1A1SMN1; SMN2

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
US-20040138212-A1 Disubstituted 1,7-guanines PHARMACIA ITALIA, S.P.A. (IT) 2004-07-15 US claimed
US-20040138212-A1 Disubstituted 1,7-guanines PHARMACIA ITALIA, S.P.A. (IT) 2004-07-15 US disclosed
EP-1383766-A1 DISUBSTITUTED 1,7-GUANINES Pharmacia Italia S.p.A. (IT) 2004-01-28 EP disclosed
WO-2002090357-A1 DISUBSTITUTED 1,7-GUANINES PHARMACIA ITALIA S.P.A. (IT) 2002-11-14 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-20040138212-A1 Disubstituted 1,7-guanines GDA, UNG, TYMS TRPA1 4882/4885CFTR 3521/4885ALOX5AP 3188/4885

“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.