SCHEMBL25489019

SCHEMBL25489019

COCCCN(CCCOC)c1nc(N2CCC(OC)CC2)c2nc(N(CCCO)CCCO)nc(O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 12/20 0.49
ADORA3 P0DMS8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
PDE2A O00408 1/20 0.44
RGS12 O14924 1/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCC5 O15440 1/20 0.44
PDE6D O43924 1/20 0.44
PDE8A O60658 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
PDE5A O76074 1/20 0.44
ABCB11 O95342 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL30113016 0.95 SLC29A1 (0.54) SLC29A1ADORA3KDM4EMEN1PDE2A
SCHEMBL25198380 0.95 SLC29A1 (0.54) SLC29A1ADORA3KDM4EMEN1PDE2A
SCHEMBL25488998 0.90 SLC29A1 (0.57) SLC29A1ADORA3KDM4EMEN1PDE2A
SCHEMBL25489001 0.90 SLC29A1 (0.57) SLC29A1ADORA3KDM4EMEN1PDE2A
SCHEMBL25488997 0.90 SLC29A1 (0.57) SLC29A1ADORA3KDM4EMEN1PDE2A
SCHEMBL25488852 0.89 SLC29A1 (0.62) SLC29A1ADORA3KDM4EMEN1PDE2A
SCHEMBL25489008 0.88 SLC29A1 (0.58) SLC29A1ADORA3KDM4EMEN1PDE2A
SCHEMBL25489018 0.88 SLC29A1 (0.42) SLC29A1ADORA3KDM4EMEN1PDE2A
SCHEMBL25214099 0.84 SLC29A1 (0.63) SLC29A1ADORA3KDM4EMEN1PDE2A
SCHEMBL25205562 0.84 SLC29A1 (0.63) SLC29A1ADORA3KDM4EMEN1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 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 (1 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-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 SLC29A1 3/4885ADORA3 10/4885KDM4E 2925/4885

“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.