SCHEMBL6549145

SCHEMBL6549145

Nc1nc2ncn(Cc3ccc4ccccc4c3)c2c(=O)n1Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ROCK1 Q13464 1/20 0.38
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
PGGT1B P53609 3/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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) GAASMN1; SMN2ALDH1A1TRPA1
SCHEMBL7113948 0.85 PNP (0.42) GAATP53RXFP1KMT2ASMN1; SMN2
SCHEMBL6548972 0.83 GAA (0.41) GAATP53KMT2ASMN1; SMN2MEN1
SCHEMBL6801426 0.83 MCHR1 (0.39) GAASMN1; SMN2ALDH1A1TRPA1
SCHEMBL6796275 0.83 KMT2A (0.47) GAATP53KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6549292 0.83 IDO1 (0.49) GAAMAPTTSHRABHD6
SCHEMBL6549287 0.82 GAA (0.40) GAATP53KMT2ASMN1; SMN2MEN1
SCHEMBL3433600 0.82 SMN1; SMN2 (0.50) GAARXFP1KMT2ASMN1; SMN2MEN1
SCHEMBL6550065 0.82 MMP13 (0.42) GAARXFP1SMN1; SMN2ALDH1A1FNTA
SCHEMBL6549181 0.81 TRPA1 (0.38) GAASMN1; SMN2ALDH1A1TRPA1

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 6 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
EP-1383766-A1 DISUBSTITUTED 1,7-GUANINES Pharmacia Italia S.p.A. (IT) 2004-01-28 EP claimed
WO-2002090357-A1 DISUBSTITUTED 1,7-GUANINES PHARMACIA ITALIA S.P.A. (IT) 2002-11-14 WO 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 GAA 404/4885TP53 153/4885RXFP1 4853/4885

“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.