SCHEMBL5055174

SCHEMBL5055174

N=C(N)NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 13/20 0.75
PRMT5 O14744 2/20 0.75
DNMT3B Q9UBC3 2/20 0.75
PRMT7 Q9NVM4 2/20 0.75
PNMT P11086 1/20 0.71
DNMT1 P26358 1/20 0.71
WDR77 Q9BQA1 1/20 0.67

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
SCHEMBL5055182 1.00 DOT1L (0.75) DOT1LPRMT5DNMT3BPRMT7PNMT
SCHEMBL5267666 0.94 PRMT7 (0.75) DOT1LPRMT5DNMT3BPRMT7PNMT
SCHEMBL5055181 0.94 PRMT7 (0.75) DOT1LPRMT5DNMT3BPRMT7PNMT
SCHEMBL5055190 0.94 PRMT7 (0.75) DOT1LPRMT5DNMT3BPRMT7PNMT
SCHEMBL14174636 0.86 DOT1L (1.00) DOT1LPRMT5DNMT3BPRMT7PNMT
SCHEMBL27092944 0.86 DOT1L (0.85) DOT1LPRMT5DNMT3BPRMT7PNMT
SCHEMBL1398379 0.86 DOT1L (1.00) DOT1LPRMT5DNMT3BPRMT7PNMT
SCHEMBL6904158 0.86 DOT1L (0.85) DOT1LPRMT5DNMT3BPRMT7PNMT
SCHEMBL10665713 0.86 DOT1L (1.00) DOT1LPRMT5DNMT3BPRMT7PNMT
SCHEMBL14158851 0.86 DOT1L (1.00) DOT1LPRMT5DNMT3BPRMT7PNMT

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 5 patents. 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
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
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
EP-1844062-A2 INHIBITORS OF DNA METHYLTRANSFERASE Methylgene, Inc. (CA) 2007-10-17 EP disclosed
WO-2006078752-A2 INHIBITORS OF DNA METHYLTRANSFERASE METHYLGENE, INC. (CA) 2006-07-27 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-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 DOT1L 24/4885PRMT5 26/4885DNMT3B 1/4885

“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.