SCHEMBL25184632

SCHEMBL25184632

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
HTR6 P50406 2/20 0.46
SLC29A1 Q99808 1/20 0.45
PRUNE1 Q86TP1 1/20 0.43
CCNE2 O96020 3/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
CDK1 P06493 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APP P05067 1/20 0.36
PDE5A O76074 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARD Q03181 1/20 0.36

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
SCHEMBL30112951 1.00 MAOB (0.46) MAOBHTR6SLC29A1PRUNE1CCNE2
SCHEMBL30112998 0.91 SLC29A1 (0.42) MAOBHTR6SLC29A1PRUNE1CCNE2
SCHEMBL25191243 0.91 SLC29A1 (0.42) MAOBHTR6SLC29A1PRUNE1CCNE2
SCHEMBL25202230 0.91 SLC29A1 (0.42) MAOBHTR6SLC29A1PRUNE1CCNE2
SCHEMBL30113048 0.90 SLC29A1 (0.45) MAOBHTR6SLC29A1PRUNE1CCNE2
SCHEMBL30113005 0.90 MAOB (0.46) MAOBHTR6SLC29A1PRUNE1CCNE2
SCHEMBL25188581 0.90 MAOB (0.46) MAOBHTR6SLC29A1PRUNE1CCNE2
SCHEMBL25191680 0.90 SLC29A1 (0.45) MAOBHTR6SLC29A1PRUNE1CCNE2
SCHEMBL25196808 0.90 PRUNE1 (0.56) SLC29A1PRUNE1CCNE2CCNE1CDK2
SCHEMBL25184648 0.90 SLC29A1 (0.50) MAOBHTR6SLC29A1PRUNE1CCNE2

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 MAOB 2954/4885HTR6 738/4885SLC29A1 3/4885

“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.