SCHEMBL2587811

SCHEMBL2587811

Nc1nc(=O)n([C@@H]2O[C@H](CO)CC2O)cc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.41
DNMT3B Q9UBC3 2/20 0.39
SLC5A2 P31639 7/20 0.38
NT5E P21589 1/20 0.36
ADRB1 P08588 1/20 0.36
FPR2 P25090 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
MTOR P42345 1/20 0.35
MDM2 Q00987 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ALB P02768 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
SCHEMBL2583985 1.00 DNMT1 (0.41) DNMT1DNMT3BSLC5A2NT5EADRB1
SCHEMBL2580126 0.86 SLC29A1 (0.37) SLC5A2
SCHEMBL2579359 0.85 DNMT1 (0.42) DNMT1DNMT3BADRB1FPR2LMNA
SCHEMBL2579360 0.85 DNMT1 (0.42) DNMT1DNMT3BADRB1FPR2LMNA
SCHEMBL2587549 0.84 DNMT1 (0.38) DNMT1ADRB1LMNATHRBMTOR
SCHEMBL2587552 0.84 DNMT1 (0.38) DNMT1ADRB1LMNATHRBMTOR
SCHEMBL2589510 0.82 TK2 (0.42) DNMT1DNMT3BADRB1FPR2ALB
SCHEMBL2579200 0.82 TK2 (0.42) DNMT1DNMT3BADRB1FPR2ALB
SCHEMBL5983018 0.81 DNMT1 (0.60) DNMT1DNMT3BADRB1FPR2
SCHEMBL5983009 0.81 DNMT1 (0.60) DNMT1DNMT3BADRB1FPR2

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 2568/4885DNMT3B 1140/4885SLC5A2 228/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH DNMT1 2658/4885DNMT3B 808/4885SLC5A2 345/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP DNMT1 3151/4885DNMT3B 1213/4885SLC5A2 264/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 DNMT1 2832/4885DNMT3B 1242/4885SLC5A2 272/4885

“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.