SCHEMBL6550065

SCHEMBL6550065

N#Cc1ccc(Cn2c(N)nc3ncn(Cc4ccc5ccccc5c4)c3c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.42
GAA P10253 2/20 0.39
TRPA1 O75762 3/20 0.39
PGR P06401 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PGGT1B P53609 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA2A P29274 2/20 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
SCHEMBL6797064 0.91 GAA (0.43) GAATRPA1ALDH1A1SMN1; SMN2HIF1A
SCHEMBL6796275 0.86 KMT2A (0.47) GAATRPA1ALDH1A1SMN1; SMN2HIF1A
SCHEMBL6548972 0.84 GAA (0.41) MMP13GAAALDH1A1SMN1; SMN2
SCHEMBL7118541 0.84 PNP (0.40) MMP13PGRALDH1A1SMN1; SMN2HIF1A
SCHEMBL6801426 0.84 MCHR1 (0.39) GAATRPA1ALDH1A1SMN1; SMN2HIF1A
SCHEMBL6548067 0.83 L3MBTL1 (0.47) GAAADORA2A
SCHEMBL6549287 0.83 GAA (0.40) GAATRPA1ALDH1A1SMN1; SMN2HIF1A
SCHEMBL6549145 0.82 GAA (0.52) GAATRPA1ALDH1A1SMN1; SMN2FNTA
SCHEMBL6549181 0.82 TRPA1 (0.38) GAATRPA1ALDH1A1SMN1; SMN2HIF1A
SCHEMBL6547901 0.81 GAA (0.39) GAATRPA1ALDH1A1SMN1; SMN2HIF1A

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 MMP13 4793/4885GAA 404/4885TRPA1 4882/4885

“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.