SCHEMBL5055239

SCHEMBL5055239

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(NCCc3ccc(-c4ccccc4)cc3)nc(Cl)nc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.60
ADORA3 P0DMS8 3/20 0.60
ADORA2A P29274 2/20 0.60
DNMT1 P26358 3/20 0.57
DNMT3B Q9UBC3 3/20 0.57
PGK1 P00558 3/20 0.55
PGK2 P07205 3/20 0.55
NT5E P21589 1/20 0.53
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
TSHR P16473 1/20 0.52
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48

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
SCHEMBL7202949 0.95 ADORA1 (0.66) ADORA1ADORA3ADORA2APGK1PGK2
SCHEMBL7202938 0.95 ADORA1 (0.66) ADORA1ADORA3ADORA2APGK1PGK2
SCHEMBL25090698 0.87 ADORA3 (0.60) ADORA1ADORA3ADORA2ANT5E
SCHEMBL19366689 0.87 ADORA3 (0.60) ADORA1ADORA3ADORA2ANT5E
SCHEMBL5062568 0.86 ADORA1 (0.80) ADORA1ADORA3ADORA2ADNMT1DNMT3B
SCHEMBL5062524 0.84 ADORA3 (0.73) ADORA1ADORA3ADORA2APGK1PGK2
SCHEMBL5062641 0.84 DNMT1 (0.52) ADORA1ADORA3ADORA2ADNMT1DNMT3B
SCHEMBL7203458 0.82 PI4KA (0.53) ADORA1ADORA3ADORA2API4KAPI4K2B
SCHEMBL7203455 0.82 PI4KA (0.53) ADORA1ADORA3ADORA2API4KAPI4K2B
SCHEMBL31201331 0.81 ADORA1 (0.88) ADORA1ADORA3ADORA2APGK1PGK2

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 ADORA1 1009/4885ADORA3 708/4885ADORA2A 554/4885

“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.