SCHEMBL6797064

SCHEMBL6797064

Nc1nc2ncn(Cc3ccc4ccccc4c3)c2c(=O)n1Cc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPA1 O75762 1/20 0.42
ADORA2A P29274 1/20 0.41
BACE1 P56817 2/20 0.39
VDR P11473 1/20 0.39
MET P08581 1/20 0.39
CYP19A1 P11511 1/20 0.39
PDE10A Q9Y233 1/20 0.38
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
POLB P06746 1/20 0.37
MCL1 Q07820 1/20 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
SCHEMBL6796275 0.93 KMT2A (0.47) GAASMN1; SMN2HIF1AALDH1A1TRPA1
SCHEMBL6801426 0.93 MCHR1 (0.39) GAASMN1; SMN2HIF1AALDH1A1TRPA1
SCHEMBL6549287 0.92 GAA (0.40) GAASMN1; SMN2HIF1AALDH1A1TRPA1
SCHEMBL6548972 0.91 GAA (0.41) GAASMN1; SMN2ALDH1A1
SCHEMBL6550065 0.91 MMP13 (0.42) GAASMN1; SMN2HIF1AALDH1A1TRPA1
SCHEMBL6549145 0.90 GAA (0.52) GAASMN1; SMN2ALDH1A1TRPA1
SCHEMBL6549181 0.90 TRPA1 (0.38) GAASMN1; SMN2HIF1AALDH1A1TRPA1
SCHEMBL6548067 0.90 L3MBTL1 (0.47) GAAADORA2A
SCHEMBL6547901 0.90 GAA (0.39) GAASMN1; SMN2HIF1AALDH1A1TRPA1
SCHEMBL6549488 0.89 PDE5A (0.45) GAASMN1; SMN2HIF1AALDH1A1POLB

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 2 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

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 404/4885SMN1; SMN2 1606/4885HIF1A 2559/4885

“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.