SCHEMBL1552034

SCHEMBL1552034

C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(O)nc(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.53
CYP2C19 P33261 1/20 0.47
ADA P00813 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA1 P30542 2/20 0.47
SLC29A1 Q99808 6/20 0.44
NT5E P21589 2/20 0.44
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
ADORA2B P29275 1/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.42
HIF1A Q16665 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
SCHEMBL1552038 1.00 ADORA2A (0.53) ADORA2ACYP2C19ADAADORA3ADORA1
SCHEMBL15038015 0.90 ADORA2A (0.62) ADORA2ACYP2C19ADAADORA3ADORA1
SCHEMBL18061789 0.90 ADORA2A (0.62) ADORA2ACYP2C19ADAADORA3ADORA1
SCHEMBL20991001 0.90 ADORA2A (0.62) ADORA2ACYP2C19ADAADORA3ADORA1
SCHEMBL12849772 0.90 ADORA2A (0.62) ADORA2ACYP2C19ADAADORA3ADORA1
SCHEMBL465590 0.90 ADORA2A (0.62) ADORA2ACYP2C19ADAADORA3ADORA1
SCHEMBL465589 0.90 ADORA2A (0.62) ADORA2ACYP2C19ADAADORA3ADORA1
SCHEMBL13929038 0.90 ADORA2A (0.62) ADORA2ACYP2C19ADAADORA3ADORA1
SCHEMBL13066843 0.89 ADORA2A (0.53) ADORA2ACYP2C19ADAADORA3ADORA1
SCHEMBL12202863 0.89 ADORA2A (0.53) ADORA2ACYP2C19ADAADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313422-B1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2015-03-04 EP disclosed
US-8759510-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2014-06-24 US disclosed
US-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2012-10-11 US disclosed
US-8173621-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2012-05-08 US disclosed
EP-2313422-A2 NUCLEOSIDE CYCLICPHOSPHATES Pharmasset, Inc. (US) 2011-04-27 EP disclosed
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2010-04-01 US disclosed
WO-2009152095-A2 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2009-12-17 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 (2 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-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP ADORA2A 102/4885CYP2C19 2793/4885ADA 22/4885
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP ADORA2A 102/4885CYP2C19 2793/4885ADA 22/4885

“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.