SCHEMBL5055541

SCHEMBL5055541

NCC(CN)SC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.76
NADK O95544 1/20 0.76
SRM P19623 4/20 0.76
SMS P52788 2/20 0.76
DOT1L Q8TEK3 3/20 0.72
DNMT3B Q9UBC3 2/20 0.72
PNMT P11086 1/20 0.72
DNMT1 P26358 1/20 0.72
PRMT7 Q9NVM4 1/20 0.70
DPP4 P27487 1/20 0.69
MEN1 O00255 1/20 0.69
SLC28A1 O00337 1/20 0.69
MAP3K7 O43318 1/20 0.69
SLC28A2 O43868 1/20 0.69
GAPDH P04406 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
MAPK1 P28482 1/20 0.69
ADORA2A P29274 1/20 0.69
ADORA2B P29275 1/20 0.69
ADORA1 P30542 1/20 0.69

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
SCHEMBL6935387 0.88 AHCY (0.78) AHCYNADKSRMDOT1LDNMT3B
SCHEMBL3488878 0.88 AHCY (0.78) AHCYNADKSRMSMSDOT1L
SCHEMBL1490897 0.87 AHCY (0.76) AHCYNADKSRMSMSDOT1L
SCHEMBL30249742 0.86 SRM (1.00) AHCYNADKSRMSMSDOT1L
SCHEMBL8943648 0.86 AHCY (0.74) AHCYNADKSRMDOT1LDNMT3B
SCHEMBL8943736 0.86 AHCY (0.74) AHCYNADKSRMSMSDOT1L
SCHEMBL8943568 0.86 AHCY (0.74) AHCYNADKSRMSMSDOT1L
SCHEMBL21243035 0.86 DOT1L (0.84) AHCYNADKDOT1LDNMT3BPNMT
SCHEMBL6907682 0.85 DOT1L (0.66) AHCYNADKSRMSMSDOT1L
Methylthioadenosine SCHEMBL11954365 0.84 AHCY (0.83) AHCYNADKDOT1LDNMT3BPNMT

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-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 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-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid DNMT3B, DNMT1, DNMT3L AHCY 278/4885NADK 3499/4885SRM 1185/4885

“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.