SCHEMBL2587019

SCHEMBL2587019

Nc1ncc2ncn([C@@H]3O[C@H](CO)C[C@H]3O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
DNMT1 P26358 2/20 0.43
ADRB1 P08588 1/20 0.43
SLC29A1 Q99808 2/20 0.41
CYP2C19 P33261 1/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
HBB P68871 1/20 0.39
PMP22 Q01453 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 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
SCHEMBL8624601 0.87 KDM4E (0.42) KDM4EPKMDNMT1ADRB1SLC29A1
SCHEMBL8624607 0.87 KDM4E (0.42) KDM4EPKMDNMT1ADRB1SLC29A1
SCHEMBL21562190 0.82 AHCY (0.58) CYP2C19LMNATP53HTTADORA3
SCHEMBL3952851 0.82 AHCY (0.58) CYP2C19LMNATP53HTTADORA3
SCHEMBL3259052 0.82 AHCY (0.58) CYP2C19LMNATP53HTTADORA3
SCHEMBL13224455 0.80 LMNA (0.50) SLC29A1CYP2C19LMNATP53HTT
SCHEMBL10678678 0.80 DNMT1 (0.62) DNMT1ADRB1SLC29A1GMNNALDH1A1
SCHEMBL12174029 0.80 SLC29A1 (0.47) KDM4EPKMSLC29A1ADORA3ADORA1
SCHEMBL2578051 0.80 SLC29A1 (0.47) KDM4EPKMSLC29A1ADORA3ADORA1
SCHEMBL10678675 0.80 DNMT1 (0.62) DNMT1ADRB1SLC29A1GMNNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2018-10-16 US disclosed
US-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION GILEAD SCIENCES, INC. (US) 2014-02-27 US disclosed
EP-2251015-B1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2013-02-20 EP disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US disclosed
EP-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 EP disclosed
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 US disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 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 (4 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-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION SLC29A1, PNP, SLC29A2 KDM4E 2698/4885PKM 676/4885DNMT1 2568/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH KDM4E 2998/4885PKM 989/4885DNMT1 2658/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP KDM4E 3226/4885PKM 707/4885DNMT1 3151/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 KDM4E 2945/4885PKM 702/4885DNMT1 2832/4885

“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.