SCHEMBL2312950

SCHEMBL2312950

C=CC1(C(O)C2(O)CC(n3cnc4c(N)ncnc43)OC2(CC)CO)OC(n2cnc3c(N)ncnc32)CC1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.39
ADORA2A P29274 3/20 0.35
SLC28A1 O00337 1/20 0.35
SLC28A2 O43868 1/20 0.35
ADA P00813 1/20 0.34
DOT1L Q8TEK3 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
PI4K2A Q9BTU6 1/20 0.33
ENPP1 P22413 1/20 0.33
P2RY1 P47900 1/20 0.33

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
SCHEMBL2309313 0.80 AHCY (0.46) AHCYADORA2ASLC28A1SLC28A2ADA
SCHEMBL2313775 0.76 AHCY (0.39) AHCYADORA2AADADOT1LPI4K2A
SCHEMBL2313783 0.72 AHCY (0.39) AHCYADORA2AADADOT1LPI4K2A
SCHEMBL2313778 0.71 AHCY (0.41) AHCYADORA2AADADOT1LPI4K2A
SCHEMBL7217681 0.70 AHCY (0.40) AHCYADORA2AADADOT1LPI4K2A
SCHEMBL12429686 0.68 AHCY (0.44) AHCYADORA2ASLC28A1SLC28A2ADA
SCHEMBL12386690 0.66 ADA (0.49) AHCYADORA2ASLC28A1SLC28A2ADA
SCHEMBL12386689 0.66 PI4KA (0.47) AHCYADORA2AADAADORA3PI4K2A
SCHEMBL21123115 0.65 AHCY (0.56) AHCYADORA2ASLC28A1SLC28A2DOT1L
SCHEMBL17633015 0.65 AHCY (0.54) AHCYDOT1L

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513214-B2 C4′-substituted-2-deoxyadenosine analogs and methods of treating HIV THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-08-20 US disclosed
US-20110190226-A1 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV THE GOV. OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES 2011-08-04 US disclosed
EP-2207554-A2 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2010-07-21 EP disclosed
WO-2009064387-A2 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV GOV'T OF THE U.S.A, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2009-05-22 WO 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-20110190226-A1 C4'-SUBSTITUTED-2-DEOXYADENOSINE ANALOGS AND METHODS OF TREATING HIV ADORA3, ADA, ADAR AHCY 260/4885ADORA2A 5/4885SLC28A1 155/4885

“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.