SCHEMBL471153

SCHEMBL471153

CC1(F)C(O)[C@@H](CO)O[C@H]1n1cnc2c(Cl)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.58
ADORA3 P0DMS8 9/20 0.51
ADORA1 P30542 6/20 0.51
ADORA2B P29275 4/20 0.51
ALOX15 P16050 1/20 0.44
PI4KA P42356 2/20 0.43
PI4K2B Q8TCG2 2/20 0.43
PI4K2A Q9BTU6 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DPP4 P27487 1/20 0.43
MEN1 O00255 1/20 0.43
SLC28A1 O00337 1/20 0.43
MAP3K7 O43318 1/20 0.43
SLC28A2 O43868 1/20 0.43
GAPDH P04406 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT6 P42226 1/20 0.43
KMT2A Q03164 1/20 0.43
DOT1L Q8TEK3 1/20 0.43

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
SCHEMBL20991046 1.00 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL13929030 1.00 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL21232918 1.00 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL12799362 1.00 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL12194662 1.00 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL14429150 0.92 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL20991045 0.90 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL1374226 0.87 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL12149963 0.87 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL21232917 0.87 ADORA2A (0.59) ADORA2AADORA3ADORA1ADORA2BPI4KA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315792-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES PHARMASSET, LTD. (BB) 2019-10-17 US disclosed
EP-3521297-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES Gilead Pharmasset LLC (US) 2019-08-07 EP disclosed
EP-2552203-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-22 EP disclosed
EP-2604620-A1 Modified fluorinated nucleoside analogues Gilead Pharmasset LLC (US) 2013-06-19 EP disclosed
WO-2012154321-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-11-15 WO disclosed
US-20120251487-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC 2012-10-04 US disclosed
US-20120245335-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES GILEAD PHARMASSET LLC (US) 2012-09-27 US disclosed
WO-2011123586-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2011-10-06 WO disclosed
US-20110243886-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS SURLERAUX DOMINIQUE 2011-10-06 US disclosed
EP-2345661-A1 Modified fluorinated nucleoside analogues Pharmasset, Inc. (US) 2011-07-20 EP disclosed
EP-2345659-A1 Modified fluorinated nucleoside analogues Pharmasset, Inc. (US) 2011-07-20 EP disclosed
US-20110038833-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES PHARMASSET, INC. (US) 2011-02-17 US disclosed
US-20090036666-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES PHARMASSET, INC. (US) 2009-02-05 US disclosed
US-20090004135-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES PHARMASSET, INC. (US) 2009-01-01 US disclosed
US-20080253995-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES PHARMASSET, INC. (US) 2008-10-16 US disclosed
US-7429572-B2 Modified fluorinated nucleoside analogues PHARMASSET, INC. (US) 2008-09-30 US disclosed
US-20080070861-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES PHARMASSET, INC. (US) 2008-03-20 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 (9 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-20080070861-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885ADORA1 182/4885
US-20110243886-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, EIF2AK2 ADORA2A 608/4885ADORA3 830/4885ADORA1 961/4885
US-20090036666-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885ADORA1 182/4885
US-20190315792-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885ADORA1 182/4885
US-20110038833-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885ADORA1 182/4885
US-20090004135-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885ADORA1 182/4885
US-20120245335-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885ADORA1 182/4885
US-20120251487-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, EIF2AK2 ADORA2A 608/4885ADORA3 830/4885ADORA1 961/4885
US-20080253995-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885ADORA1 182/4885

“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.