SCHEMBL25196291

SCHEMBL25196291

COCCN(CCOC)c1nc(N2CCC(OC)CC2)c2nc(N(CCOC)CCOC)nc(NCCCO)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 19/20 0.52
PRUNE1 Q86TP1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
PDE2A O00408 1/20 0.41
RGS12 O14924 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCC5 O15440 1/20 0.41
PDE6D O43924 1/20 0.41
PDE8A O60658 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
PDE5A O76074 1/20 0.41
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL25191641 0.93 SLC29A1 (0.55) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25190637 0.92 SLC29A1 (0.54) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25195007 0.91 SLC29A1 (0.53) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25198362 0.91 SLC29A1 (0.57) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25193058 0.90 SLC29A1 (0.51) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25191634 0.88 SLC29A1 (0.51) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25188582 0.87 SLC29A1 (0.48) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25188264 0.87 SLC29A1 (0.57) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25214099 0.86 SLC29A1 (0.63) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25205562 0.86 SLC29A1 (0.63) SLC29A1PRUNE1KDM4EMEN1PDE2A

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 5 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 claimed
EP-4110784-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) 2023-01-04 EP claimed
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
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 3/4885PRUNE1 2079/4885KDM4E 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.