SCHEMBL4736602

SCHEMBL4736602

COc1ncnc2c(Br)n(C3CCCCO3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
DRD1 P21728 1/20 0.36
ATR Q13535 1/20 0.34
RET P07949 3/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APEX1 P27695 1/20 0.33
PI4KA P42356 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ADCY1 Q08828 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33

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
SCHEMBL4736590 0.83 CYP2C19 (0.37) CYP2C19DRD1ATRRETCYP4F2
SCHEMBL4752520 0.75 CYP2C19 (0.40) CYP2C19DRD1ATRRETTP53
SCHEMBL4736667 0.74 PNP (0.34) CYP2C19DRD1CYP4F2CYP4A11
SCHEMBL12715593 0.74 PNP (0.34) CYP2C19DRD1CYP4F2CYP4A11
SCHEMBL4751248 0.74 PDCD1 (0.38) CYP2C19DRD1ATR
SCHEMBL13726338 0.71 DRD1 (0.31) DRD1ATR
SCHEMBL13726343 0.71 ATR (0.32) DRD1ATR
SCHEMBL25291226 0.69 CYP2C19 (0.36) CYP2C19ATRRETCYP4F2CYP4A11
SCHEMBL23217072 0.67 CYP2C19 (0.43) CYP2C19ATRRETCYP4F2CYP4A11
SCHEMBL31206696 0.65 GAA (0.34) CYP2C19ATRRETCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173662-B2 Fused pyrimidines as inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-08 US disclosed
US-8173662-B2 Fused pyrimidines as inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-08 US disclosed
EP-1539783-B1 INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES EINSTEIN COLL MED (US) 2011-04-13 EP disclosed
US-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases BIOCRYST PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases BIOCRYST PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-7553839-B2 5h-pyrrolo[3,2-D] pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2009-06-30 US disclosed
US-7553839-B2 5h-pyrrolo[3,2-D] pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2009-06-30 US disclosed
US-7098334-B2 4-amino-5H-pyrrolo[3,2-d]pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2006-08-29 US disclosed
EP-1490373-A1 INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES INDUSTRIAL RESEARCH LIMITED (NZ) 2004-12-29 EP disclosed
US-20040110772-A1 Inhibitors of nucleoside phosphorylases and nucleosidases NATIONAL INSTITUTES OF HEALTH 2004-06-10 US disclosed
WO-2003080620-A1 INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES INDUSTRIAL RESEARCH LIMITED (NZ) 2003-10-02 WO 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 (2 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-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases PNP, MTAP, TYMP CYP2C19 2357/4885DRD1 4651/4885ATR 2439/4885
US-20040110772-A1 Inhibitors of nucleoside phosphorylases and nucleosidases PNP, RNASEL, TYMP CYP2C19 2287/4885DRD1 1786/4885ATR 1548/4885

“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.