SCHEMBL30113064

SCHEMBL30113064

COCCN(CCOC)c1nc(N2CCC(OC)CC2)c2nc(N(CCOC)CCOC)nc(NCc3cccc(C#N)c3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.45
SLC29A1 Q99808 1/20 0.43
LRRK2 Q5S007 1/20 0.40
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PDE2A O00408 3/20 0.37
PRUNE1 Q86TP1 1/20 0.36
GPR6 P46095 2/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
MAOB P27338 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
SCHEMBL25188426 1.00 PDE5A (0.45) PDE5ASLC29A1LRRK2CCNE2CCNE1
SCHEMBL25190634 0.96 PRUNE1 (0.43) PDE5ASLC29A1LRRK2CCNE2CCNE1
SCHEMBL30112868 0.96 PRUNE1 (0.43) PDE5ASLC29A1LRRK2CCNE2CCNE1
SCHEMBL25189985 0.90 SLC29A1 (0.46) PDE5ASLC29A1CCNE2CCNE1CDK2
SCHEMBL30112951 0.88 MAOB (0.46) PDE5ASLC29A1CCNE2CCNE1CDK2
SCHEMBL30113005 0.88 MAOB (0.46) PDE5ASLC29A1CCNE2CCNE1CDK2
SCHEMBL25188581 0.88 MAOB (0.46) PDE5ASLC29A1CCNE2CCNE1CDK2
SCHEMBL25191680 0.88 SLC29A1 (0.45) PDE5ASLC29A1CCNE2CCNE1CDK2
SCHEMBL25184632 0.88 MAOB (0.46) PDE5ASLC29A1CCNE2CCNE1CDK2
SCHEMBL30113048 0.88 SLC29A1 (0.45) PDE5ASLC29A1CCNE2CCNE1CDK2

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
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

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 PDE5A 1707/4885SLC29A1 3/4885LRRK2 3833/4885

“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.