SCHEMBL2584404

SCHEMBL2584404

Nc1nc(=O)n([C@@H]2O[C@H](CO)C[C@H]2O)cc1/C=C/Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.43
BLM P54132 2/20 0.43
PMP22 Q01453 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TK2 O00142 3/20 0.40
DNMT1 P26358 4/20 0.37
ADRB1 P08588 1/20 0.37
ALB P02768 1/20 0.36
LMNA P02545 2/20 0.34
MTOR P42345 2/20 0.34
THRB P10828 1/20 0.34
MDM2 Q00987 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2584408 1.00 TK1 (0.43) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL2577912 0.91 DNMT1 (0.37) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL7240941 0.91 DNMT1 (0.37) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL2577913 0.91 DNMT1 (0.37) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL2583868 0.90 DNMT1 (0.38) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL2583871 0.90 DNMT1 (0.38) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL8623257 0.88 TK1 (0.38) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL2580902 0.87 DNMT1 (0.37) BLMPMP22DNMT1ADRB1ALB
SCHEMBL2580901 0.87 DNMT1 (0.37) BLMPMP22DNMT1ADRB1ALB
SCHEMBL2578397 0.87 DNMT1 (0.38) BLMPMP22DNMT1ADRB1ALB

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 6 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
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 US 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 TK1 12/4885BLM 2558/4885PMP22 3988/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TK1 35/4885BLM 1753/4885PMP22 4009/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TK1 5/4885BLM 2633/4885PMP22 3716/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TK1 12/4885BLM 2343/4885PMP22 4167/4885

“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.