SCHEMBL6907886

SCHEMBL6907886

CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](Cl)[C@@H]1OC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.47
NADK O95544 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
APEX1 P27695 1/20 0.45
PI4KA P42356 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
ADCY1 Q08828 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
DNMT1 P26358 4/20 0.44
DNMT3B Q9UBC3 3/20 0.44

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
SCHEMBL6907874 1.00 AHCY (0.47) AHCYNADKADORA3TP53CYP2C9
SCHEMBL6908435 0.90 AHCY (0.55) AHCYNADKADORA3MAPK1MEN1
SCHEMBL6893039 0.90 AHCY (0.55) AHCYNADKADORA3MAPK1MEN1
SCHEMBL22875578 0.79 ADORA1 (0.62) ADORA3MAPK1MEN1ALDH1A1PI4KA
SCHEMBL9218364 0.79 ADORA1 (0.62) ADORA3MAPK1MEN1ALDH1A1PI4KA
SCHEMBL5822309 0.78 ADORA3 (0.53) ADORA3TP53CYP2C9NFKB1MAPK1
SCHEMBL5822306 0.78 ADORA3 (0.53) ADORA3TP53CYP2C9NFKB1MAPK1
SCHEMBL6907649 0.77 AHCY (0.69) AHCYNADKADORA3MAPK1MEN1
SCHEMBL23547954 0.76 AHCY (0.58) AHCYNADKADORA3MAPK1MEN1
SCHEMBL5794947 0.73 ADORA1 (0.61) AHCYNADKADORA3MAPK1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 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-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP AHCY 62/4885NADK 1514/4885ADORA3 743/4885

“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.