SCHEMBL14174641

SCHEMBL14174641

CCCCNc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 11/20 1.00
DNMT3B Q9UBC3 7/20 0.81
DNMT1 P26358 6/20 0.81
PRMT1 Q99873 1/20 0.79
EZH2 Q15910 2/20 0.72
CARM1 Q86X55 1/20 0.71
EHMT2 Q96KQ7 1/20 0.71

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
SCHEMBL30979358 0.92 DOT1L (0.85) DOT1LDNMT3BDNMT1PRMT1EZH2
SCHEMBL14174645 0.92 DOT1L (0.85) DOT1LDNMT3BDNMT1PRMT1EZH2
SCHEMBL14191355 0.92 DOT1L (0.85) DOT1LDNMT3BDNMT1PRMT1EZH2
SCHEMBL30979354 0.90 DOT1L (0.84) DOT1LDNMT3BDNMT1PRMT1EZH2
SCHEMBL5055439 0.90 DOT1L (0.83) DOT1LDNMT3BDNMT1PRMT1EZH2
SCHEMBL17309762 0.89 DNMT3B (1.00) DOT1LDNMT3BDNMT1PRMT1CARM1
SCHEMBL14174713 0.89 DNMT3B (1.00) DOT1LDNMT3BDNMT1PRMT1CARM1
SCHEMBL5055187 0.89 DOT1L (0.80) DOT1LDNMT3BDNMT1PRMT1EZH2
SCHEMBL14191440 0.88 DOT1L (1.00) DOT1LDNMT3BDNMT1PRMT1EZH2
SCHEMBL9058595 0.88 DOT1L (1.00) DOT1LDNMT3BDNMT1PRMT1EZH2

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-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

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 24/4885DNMT3B 1/4885DNMT1 2/4885

“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.