SCHEMBL25200263

SCHEMBL25200263

COCCN(CCOC)c1nc(N2CCC(OC)CC2)c2nc(N(CCOC)CCOC)nc(NCc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.44
PDE5A O76074 8/20 0.42
TRPV1 Q8NER1 2/20 0.41
PRUNE1 Q86TP1 1/20 0.38
CCNE2 O96020 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CDK7 P50613 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
GRM4 Q14833 1/20 0.35
MAOB P27338 1/20 0.35
HTR6 P50406 1/20 0.35
BCDIN3D Q7Z5W3 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL30112984 1.00 SLC29A1 (0.44) SLC29A1PDE5ATRPV1PRUNE1CCNE2
SCHEMBL25192473 0.93 SLC29A1 (0.46) SLC29A1PDE5ATRPV1PRUNE1CCNE2
SCHEMBL30112997 0.93 SLC29A1 (0.46) SLC29A1PDE5ATRPV1PRUNE1CCNE2
SCHEMBL30113001 0.93 SLC29A1 (0.46) SLC29A1PDE5ATRPV1PRUNE1CCNE2
SCHEMBL25196282 0.93 SLC29A1 (0.46) SLC29A1PDE5ATRPV1PRUNE1CCNE2
SCHEMBL25214065 0.89 SLC29A1 (0.43) SLC29A1PDE5ATRPV1PRUNE1CCNE2
SCHEMBL30113097 0.89 SLC29A1 (0.43) SLC29A1PDE5ATRPV1PRUNE1CCNE2
SCHEMBL25188581 0.89 MAOB (0.46) SLC29A1PDE5ATRPV1PRUNE1CCNE2
SCHEMBL30113005 0.89 MAOB (0.46) SLC29A1PDE5ATRPV1PRUNE1CCNE2
SCHEMBL25195012 0.87 PDE5A (0.46) SLC29A1PDE5ATRPV1PRUNE1CCNE2

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 4 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
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 1707/4885TRPV1 973/4885

“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.