SCHEMBL18026007

SCHEMBL18026007

CC(C)C[C@H](O)[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.56
▸ ADORA2B P29275 2/20 0.56
▸ DNMT1 P26358 1/20 0.51
▸ DNMT3B Q9UBC3 1/20 0.51
▸ AHCY P23526 2/20 0.47
▸ PRMT5 O14744 2/20 0.44
▸ WDR77 Q9BQA1 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DOT1L Q8TEK3 1/20 0.42
▸ AMD1 P17707 1/20 0.42

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
SCHEMBL18026012 1.00 ADORA2A (0.56) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL18026081 1.00 ADORA2A (0.56) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL18026074 0.89 ADORA2A (0.60) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL18026050 0.89 ADORA2A (0.60) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL18026027 0.89 ADORA2A (0.60) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL18026087 0.88 ADORA2B (0.58) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL18026026 0.88 ADORA2B (0.58) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL18026021 0.88 ADORA2B (0.58) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL18026160 0.87 ADORA2A (0.58) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL18026006 0.87 ADORA2A (0.58) ADORA2AADORA2BDNMT1DNMT3BAHCY

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-20160244475-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2016-08-25 — — 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-20160244475-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS TYMP, NME1, PNP ADORA2A 631/4885ADORA2B 1363/4885DNMT1 889/4885

“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.

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