SCHEMBL2579200

SCHEMBL2579200

CCCc1cn([C@@H]2O[C@H](CO)C[C@H]2O)c(=O)nc1N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK2 O00142 1/20 0.42
TK1 P04183 1/20 0.42
DNMT1 P26358 9/20 0.40
DNMT3B Q9UBC3 3/20 0.39
ADRB1 P08588 1/20 0.38
FPR2 P25090 2/20 0.37
ALB P02768 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL2589510 1.00 TK2 (0.42) TK2TK1DNMT1DNMT3BADRB1
SCHEMBL2579359 0.92 DNMT1 (0.42) TK2TK1DNMT1DNMT3BADRB1
SCHEMBL2579360 0.92 DNMT1 (0.42) TK2TK1DNMT1DNMT3BADRB1
SCHEMBL19647004 0.88 DNMT1 (0.41) DNMT1DNMT3BADRB1FPR2ALB
SCHEMBL1738187 0.85 DNMT1 (0.41) DNMT1DNMT3BADRB1ALBTLR7
SCHEMBL1738190 0.85 DNMT1 (0.41) DNMT1DNMT3BADRB1ALBTLR7
SCHEMBL12030667 0.85 DNMT1 (0.41) DNMT1DNMT3BADRB1ALBTLR7
SCHEMBL12300470 0.85 DNMT1 (0.41) DNMT1DNMT3BADRB1ALBTLR7
SCHEMBL2579372 0.85 TK2 (0.41) TK2TK1
SCHEMBL2583037 0.83 DNMT1 (0.42) DNMT1DNMT3BADRB1ALBTLR7

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
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US disclosed
EP-1411954-B1 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET INC (US) 2010-12-15 EP 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 TK2 149/4885TK1 12/4885DNMT1 2568/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TK2 261/4885TK1 35/4885DNMT1 2658/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TK2 159/4885TK1 5/4885DNMT1 3151/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TK2 190/4885TK1 12/4885DNMT1 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.