SCHEMBL6548067

SCHEMBL6548067

Nc1nc2ncn(Cc3ccc4ccccc4c3)c2c(=O)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PDE5A O76074 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CFTR P13569 3/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.41
DHFR P00374 1/20 0.41
TYMS P04818 1/20 0.41
ADORA2A P29274 2/20 0.40
CNR2 P34972 2/20 0.40
ACHE P22303 1/20 0.40
ADORA1 P30542 1/20 0.40
P2RX4 Q99571 1/20 0.39
GAA P10253 1/20 0.39
NR1I2 O75469 1/20 0.38
SLC29A1 Q99808 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) ADORA2AGAA
SCHEMBL6796275 0.85 KMT2A (0.47) L3MBTL1KMT2ALMNATYMSGAA
SCHEMBL7111115 0.85 L3MBTL1 (0.47) L3MBTL1PDE5APDE4APDE4BPDE4C
SCHEMBL6548972 0.83 GAA (0.41) KMT2AMEN1LMNAGAA
SCHEMBL6550065 0.83 MMP13 (0.42) ADORA2AGAA
SCHEMBL6801426 0.83 MCHR1 (0.39) ADORA2AGAA
SCHEMBL6549287 0.82 GAA (0.40) L3MBTL1KMT2AMEN1LMNAADORA2A
SCHEMBL6549145 0.81 GAA (0.52) KMT2AMEN1GAA
SCHEMBL6549181 0.81 TRPA1 (0.38) CFTRADORA2AGAA
SCHEMBL6547901 0.80 GAA (0.39) ADORA2AGAA

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 L3MBTL1 739/4885PDE5A 1208/4885PDE4A 690/4885

“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.