SCHEMBL5060722

SCHEMBL5060722

CN(CC[C@H](NC(=O)O)C(=O)OC(C)(C)C)[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
P2RX1 P51575 1/20 0.45
P2RX3 P56373 1/20 0.45
P2RX4 Q99571 1/20 0.45
EZH2 Q15910 1/20 0.42
AMD1 P17707 2/20 0.41
HSP90B1 P14625 1/20 0.41
DOT1L Q8TEK3 1/20 0.40
PLA2G2A P14555 1/20 0.40
AHCY P23526 1/20 0.40
SMYD3 Q9H7B4 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 1/20 0.39
SETD2 Q9BYW2 1/20 0.39

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
SCHEMBL5060725 0.84 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5060720 0.84 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5055553 0.80 DOT1L (0.51) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5055547 0.80 DOT1L (0.51) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5056748 0.79 EZH2 (0.42) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL26530697 0.79 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL23120363 0.77 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL23120365 0.77 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL23120364 0.77 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL14174710 0.77 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1

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 PI4KA 2879/4885PI4K2B 2005/4885PI4K2A 2640/4885

“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.