SCHEMBL2585403

SCHEMBL2585403

COc1ccc(C(=O)Nc2nc(=O)n([C@@H]3O[C@H](COC(C)=O)C[C@H]3OC(C)=O)cc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIP13 Q15645 2/20 0.38
ADORA3 P0DMS8 5/20 0.36
TMIGD3 P0DMS9 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
AURKA O14965 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
NPC1 O15118 2/20 0.34
DUSP3 P51452 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2577663 0.92 TRIP13 (0.37) TRIP13ADORA3TMIGD3KDM4EMAPT
SCHEMBL2586190 0.91 POLB (0.41) TRIP13ADORA3KDM4EALDH1A1NPC1
SCHEMBL2577960 0.91 TRIP13 (0.36) TRIP13ADORA3TMIGD3KDM4EMAPT
SCHEMBL2578182 0.90 TRIP13 (0.36) TRIP13ADORA3TMIGD3KDM4EMAPT
SCHEMBL2589479 0.89 TMIGD3 (0.41) ADORA3TMIGD3ADORA1ADORA2AADORA2B
SCHEMBL2583162 0.88 ADORA3 (0.38) TRIP13ADORA3TMIGD3MAPTTP53
SCHEMBL2578213 0.86 POLB (0.45) TRIP13ADORA3KDM4ECCNA2CDK2
SCHEMBL2583455 0.83 LMNA (0.34) MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL2587843 0.83 POLB (0.40) TRIP13KDM4EALDH1A1POLB
SCHEMBL2585187 0.82 LMNA (0.39) TRIP13ADORA3MAPTALDH1A1TP53

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 TRIP13 3816/4885ADORA3 83/4885TMIGD3 3114/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TRIP13 3774/4885ADORA3 160/4885TMIGD3 3324/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TRIP13 3662/4885ADORA3 61/4885TMIGD3 1792/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TRIP13 3813/4885ADORA3 82/4885TMIGD3 2960/4885

“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.