SCHEMBL2587549

SCHEMBL2587549

Nc1nc(=O)n([C@@H]2O[C@H](CO)C[C@H]2O)cc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.38
ADRB1 P08588 1/20 0.38
SRC P12931 4/20 0.37
ABL1 P00519 3/20 0.37
ADK P55263 2/20 0.37
EGFR P00533 2/20 0.37
ABL2 P42684 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
MTOR P42345 1/20 0.37
MDM2 Q00987 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ALB P02768 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
TYMS P04818 1/20 0.36
RIN1 Q13671 1/20 0.35

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
SCHEMBL2587552 1.00 DNMT1 (0.38) DNMT1ADRB1SRCABL1ADK
SCHEMBL2587907 0.85 ADK (0.40) ABL1ADKTYMSRIN1
SCHEMBL2587811 0.84 DNMT1 (0.41) DNMT1ADRB1LMNATHRBMTOR
SCHEMBL2583985 0.84 DNMT1 (0.41) DNMT1ADRB1LMNATHRBMTOR
SCHEMBL2583043 0.83 DNMT1 (0.42) DNMT1ADRB1LMNATHRBMTOR
SCHEMBL2583037 0.83 DNMT1 (0.42) DNMT1ADRB1LMNATHRBMTOR
SCHEMBL1738190 0.82 DNMT1 (0.41) DNMT1ADRB1LMNATHRBMTOR
SCHEMBL1738187 0.82 DNMT1 (0.41) DNMT1ADRB1LMNATHRBMTOR
SCHEMBL12300470 0.82 DNMT1 (0.41) DNMT1ADRB1LMNATHRBMTOR
SCHEMBL12030667 0.82 DNMT1 (0.41) DNMT1ADRB1LMNATHRBMTOR

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 DNMT1 2568/4885ADRB1 744/4885SRC 844/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH DNMT1 2658/4885ADRB1 1219/4885SRC 1429/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP DNMT1 3151/4885ADRB1 349/4885SRC 986/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 DNMT1 2832/4885ADRB1 848/4885SRC 881/4885

“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.