SCHEMBL465644

SCHEMBL465644

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.78
ADORA3 P0DMS8 7/20 0.60
PI4KA P42356 2/20 0.60
PI4K2B Q8TCG2 2/20 0.60
PI4K2A Q9BTU6 2/20 0.60
PI4KB Q9UBF8 2/20 0.60
ADORA2B P29275 2/20 0.60
ADORA1 P30542 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
STAT6 P42226 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
DOT1L Q8TEK3 1/20 0.60
SLC29A1 Q99808 1/20 0.60

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
SCHEMBL19774740 1.00 ADORA2A (0.78) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL465643 1.00 ADORA2A (0.78) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL17117141 1.00 ADORA2A (0.78) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL11896815 1.00 ADORA2A (0.78) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL29722667 1.00 ADORA2A (0.78) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL13951444 1.00 ADORA2A (0.78) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL13929067 1.00 ADORA2A (0.78) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL19762330 1.00 ADORA2A (0.78) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL13672370 1.00 ADORA2A (0.78) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL14429199 0.92 ADORA2A (0.70) ADORA2AADORA3PI4KAPI4K2BPI4K2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4032897-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES Gilead Pharmasset LLC (US) 2022-07-27 EP disclosed
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
US-10287311-B2 Modified fluorinated nucleoside analogues GILEAD PHARMASSET LLC (US) 2019-05-14 US disclosed
EP-2604620-A1 Modified fluorinated nucleoside analogues Gilead Pharmasset LLC (US) 2013-06-19 EP disclosed
US-8415322-B2 Modified fluorinated nucleoside analogues GILEAD PHARMASSET LLC (US) 2013-04-09 US disclosed
US-8415322-B2 Modified fluorinated nucleoside analogues GILEAD PHARMASSET LLC (US) 2013-04-09 US disclosed
US-8415322-B2 Modified fluorinated nucleoside analogues GILEAD PHARMASSET LLC (US) 2013-04-09 US disclosed
US-20120245335-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES GILEAD PHARMASSET LLC (US) 2012-09-27 US disclosed
US-20120245335-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES GILEAD PHARMASSET LLC (US) 2012-09-27 US disclosed
EP-2345658-A1 Modified fluorinated nucleoside analogues Pharmasset, Inc. (US) 2011-07-20 EP disclosed
EP-2345661-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-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
US-20050009737-A1 Modified fluorinated nucleoside analogues GILEAD SCIENCES, INC. 2005-01-13 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 102/4885PI4KA 1353/4885
US-10287311-B2 Modified fluorinated nucleoside analogues NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885PI4KA 1353/4885
US-20090036666-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885PI4KA 1353/4885
US-20190315792-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885PI4KA 1353/4885
US-20050009737-A1 Modified fluorinated nucleoside analogues NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885PI4KA 1353/4885
US-20110038833-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885PI4KA 1353/4885
US-20090004135-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885PI4KA 1353/4885
US-20120245335-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885PI4KA 1353/4885
US-20080253995-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 ADORA2A 61/4885ADORA3 102/4885PI4KA 1353/4885

“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.