SCHEMBL5055464

SCHEMBL5055464

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 5/20 1.00
DNMT3B Q9UBC3 3/20 1.00
PNMT P11086 2/20 1.00
DNMT1 P26358 2/20 1.00
PRMT7 Q9NVM4 2/20 0.88
AHCY P23526 6/20 0.78
NADK O95544 1/20 0.78
CARM1 Q86X55 2/20 0.74
EHMT2 Q96KQ7 2/20 0.74
TRDMT1 O14717 1/20 0.74
PRMT5 O14744 1/20 0.74
SUV39H1 O43463 1/20 0.74
PRMT3 O60678 1/20 0.74
INMT O95050 1/20 0.74
NSD2 O96028 1/20 0.74
NNMT P40261 1/20 0.74
HNMT P50135 1/20 0.74
WDR5 P61964 1/20 0.74
KMT2A Q03164 1/20 0.74
SETDB1 Q15047 1/20 0.74

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
SCHEMBL8572440 1.00 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL14174635 1.00 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL16272276 1.00 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL14158851 0.94 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL1398379 0.94 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL10665713 0.94 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL14174636 0.94 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL8943671 0.93 DOT1L (0.86) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL8943656 0.93 DOT1L (0.86) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL1490901 0.91 DOT1L (0.84) DOT1LDNMT3BPNMTDNMT1PRMT7

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 10 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
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 WO disclosed
US-RE35904-E COMPOUND CAPABLE OF BINDING TO ES NUCLEOSIDE TRANSPORTER OF ANIMAL CELLS GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1998-09-22 US disclosed
US-5236902-A Method and probes for detecting nucleoside transporter and method for producing the probes THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1993-08-17 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 (2 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 24/4885DNMT3B 1/4885PNMT 154/4885
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP DOT1L 1250/4885DNMT3B 408/4885PNMT 268/4885

“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.