SCHEMBL25189985

SCHEMBL25189985

COCCN(CCOC)c1nc(N2CCC(OC)CC2)c2nc(N(CCOC)CCOC)nc(NCc3ccc(C#N)cc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.46
PDE5A O76074 12/20 0.45
PRUNE1 Q86TP1 1/20 0.42
CCNE2 O96020 3/20 0.41
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
PDE2A O00408 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
GPR6 P46095 1/20 0.35

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
SCHEMBL30113064 0.90 PDE5A (0.45) SLC29A1PDE5APRUNE1CCNE2CCNE1
SCHEMBL25188426 0.90 PDE5A (0.45) SLC29A1PDE5APRUNE1CCNE2CCNE1
SCHEMBL25196808 0.89 PRUNE1 (0.56) SLC29A1PDE5APRUNE1CCNE2CCNE1
SCHEMBL25184648 0.89 SLC29A1 (0.50) SLC29A1PRUNE1CCNE2CCNE1CDK2
SCHEMBL30112885 0.88 PDE5A (0.46) SLC29A1PDE5APRUNE1CCNE2CCNE1
SCHEMBL30113097 0.88 SLC29A1 (0.43) SLC29A1PDE5APRUNE1CCNE2CCNE1
SCHEMBL25214065 0.88 SLC29A1 (0.43) SLC29A1PDE5APRUNE1CCNE2CCNE1
SCHEMBL25195012 0.88 PDE5A (0.46) SLC29A1PDE5APRUNE1CCNE2CCNE1
SCHEMBL25190660 0.88 SLC29A1 (0.49) SLC29A1PDE5APRUNE1CCNE2CCNE1
SCHEMBL25190634 0.87 PRUNE1 (0.43) SLC29A1PDE5APRUNE1CCNE2CCNE1

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 3/4885PDE5A 1707/4885PRUNE1 2079/4885

“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.