SCHEMBL800618

SCHEMBL800618

CC[C@H](O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.63
ADORA2A P29274 2/20 0.63
ADORA2B P29275 2/20 0.63
ADORA1 P30542 2/20 0.63
KMT2A Q03164 2/20 0.63
DOT1L Q8TEK3 2/20 0.63
DPP4 P27487 1/20 0.63
MEN1 O00255 1/20 0.63
SLC28A1 O00337 1/20 0.63
MAP3K7 O43318 1/20 0.63
SLC28A2 O43868 1/20 0.63
GAPDH P04406 1/20 0.63
MAPK1 P28482 1/20 0.63
STAT6 P42226 1/20 0.63
PI4KA P42356 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PI4K2B Q8TCG2 1/20 0.63
SLC29A1 Q99808 1/20 0.63
PI4K2A Q9BTU6 1/20 0.63
SLC28A3 Q9HAS3 1/20 0.63

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
SCHEMBL21837298 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL18026180 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL21413842 1.00 ADORA3 (0.63) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL21837300 0.91 EHMT1 (0.62) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL18055826 0.91 EHMT1 (0.62) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL18026183 0.91 EHMT1 (0.62) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL18026190 0.91 EHMT1 (0.62) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL18055969 0.91 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL30786566 0.90 EGFR (0.65) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL30786564 0.90 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1KMT2A

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
EP-3262057-B1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2020-04-15 EP disclosed
US-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-10-01 US disclosed
US-20160244475-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2016-08-25 US disclosed
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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 (3 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-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents TYMP, NME1, DPYD ADORA3 1160/4885ADORA2A 508/4885ADORA2B 1429/4885
US-20160244475-A1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS TYMP, NME1, PNP ADORA3 1149/4885ADORA2A 631/4885ADORA2B 1363/4885
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 ADORA3 174/4885ADORA2A 205/4885ADORA2B 305/4885

“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.