SCHEMBL30113005

SCHEMBL30113005

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
HTR6 P50406 4/20 0.46
SLC29A1 Q99808 1/20 0.45
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
PDE5A O76074 5/20 0.38
PRUNE1 Q86TP1 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PPARD Q03181 1/20 0.35
MAPT P10636 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
SCHEMBL25188581 1.00 MAOB (0.46) MAOBHTR6SLC29A1CCNE2CCNE1
SCHEMBL30112951 0.90 MAOB (0.46) MAOBHTR6SLC29A1CCNE2CCNE1
SCHEMBL30113048 0.90 SLC29A1 (0.45) MAOBHTR6SLC29A1CCNE2CCNE1
SCHEMBL25191680 0.90 SLC29A1 (0.45) MAOBHTR6SLC29A1CCNE2CCNE1
SCHEMBL25184632 0.90 MAOB (0.46) MAOBHTR6SLC29A1CCNE2CCNE1
SCHEMBL25184648 0.90 SLC29A1 (0.50) MAOBHTR6SLC29A1CCNE2CCNE1
SCHEMBL30113001 0.89 SLC29A1 (0.46) SLC29A1CCNE2CCNE1CDK2PDE5A
SCHEMBL25196282 0.89 SLC29A1 (0.46) SLC29A1CCNE2CCNE1CDK2PDE5A
SCHEMBL25200263 0.89 SLC29A1 (0.44) MAOBHTR6SLC29A1CCNE2CCNE1
SCHEMBL30112984 0.89 SLC29A1 (0.44) MAOBHTR6SLC29A1CCNE2CCNE1

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 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.