SCHEMBL2585546

SCHEMBL2585546

CC(=O)O[C@@H]1[C@@H](Br)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.60
ADORA3 P0DMS8 4/20 0.59
PI4KA P42356 2/20 0.59
PI4K2B Q8TCG2 2/20 0.59
PI4K2A Q9BTU6 2/20 0.59
PI4KB Q9UBF8 2/20 0.59
DPP4 P27487 1/20 0.59
MEN1 O00255 1/20 0.59
SLC28A1 O00337 1/20 0.59
MAP3K7 O43318 1/20 0.59
SLC28A2 O43868 1/20 0.59
GAPDH P04406 1/20 0.59
MAPK1 P28482 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA2B P29275 1/20 0.59
STAT6 P42226 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DOT1L Q8TEK3 1/20 0.59
SLC29A1 Q99808 1/20 0.59

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
SCHEMBL6222404 0.91 ADORA1 (0.63) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL10587504 0.91 ADORA1 (0.63) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL3622562 0.91 ADORA1 (0.63) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL9300768 0.90 PRKAB2 (0.56) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL5455528 0.90 PRKAB2 (0.56) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL9300991 0.90 ADORA1 (0.60) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL23547680 0.89 ADORA1 (0.72) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL9186652 0.89 ADORA1 (0.72) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL11428960 0.89 ADORA1 (0.72) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL31381449 0.89 ADORA1 (0.72) ADORA1ADORA3PI4KAPI4K2BPI4K2A

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
EP-2251015-B1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2013-02-20 EP disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US 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 ADORA1 231/4885ADORA3 83/4885PI4KA 331/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH ADORA1 254/4885ADORA3 160/4885PI4KA 534/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP ADORA1 111/4885ADORA3 61/4885PI4KA 641/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 ADORA1 277/4885ADORA3 82/4885PI4KA 398/4885

“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.