SCHEMBL20010091

SCHEMBL20010091

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.46
▸ ADORA2B P29275 3/20 0.46
▸ DNMT1 P26358 1/20 0.43
▸ DNMT3B Q9UBC3 1/20 0.43
▸ AHCY P23526 2/20 0.41
▸ ADA P00813 1/20 0.36
▸ DOT1L Q8TEK3 1/20 0.35
▸ AMD1 P17707 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34

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
SCHEMBL20010089 0.90 ADORA2A (0.47) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL20010217 0.89 ADORA2A (0.46) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL20010221 0.89 ADORA2A (0.46) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL20010146 0.87 ADORA2A (0.45) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL14946123 0.81 ADORA2A (0.48) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL18852383 0.81 ADORA2A (0.48) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL15868515 0.81 ADORA2A (0.48) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL14928885 0.81 ADORA2A (0.48) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL20009992 0.79 ADORA2A (0.43) ADORA2AADORA2BDNMT1DNMT3BAHCY
SCHEMBL20010088 0.79 ADORA2A (0.43) 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-20180086807-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF PROTEINS ASSOCIATED WITH HUMAN DISEASE MODERNATX, INC. 2018-03-29 — — 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-20180086807-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF PROTEINS ASSOCIATED WITH HUMAN DISEASE POLRMT, POLM, POLN ADORA2A 3329/4885ADORA2B 3118/4885DNMT1 488/4885

“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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