SCHEMBL30112944

SCHEMBL30112944

COCCN(CCOC)c1nc(NCc2cccc(F)c2)c2nc(N(CCO)CCO)nc(N3CCC(OC)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRUNE1 Q86TP1 2/20 0.44
▸ SLC29A1 Q99808 9/20 0.42
▸ CCNE2 O96020 7/20 0.39
▸ CCNE1 P24864 7/20 0.39
▸ CDK2 P24941 7/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ PDE5A O76074 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ ABCC5 O15440 1/20 0.38
▸ PDE6D O43924 1/20 0.38
▸ PDE8A O60658 1/20 0.38
▸ GMNN O75496 1/20 0.38

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
SCHEMBL25205899 1.00 PRUNE1 (0.44) PRUNE1SLC29A1CCNE2CCNE1CDK2
SCHEMBL25191680 0.96 SLC29A1 (0.45) PRUNE1SLC29A1CCNE2CCNE1CDK2
SCHEMBL30113048 0.96 SLC29A1 (0.45) PRUNE1SLC29A1CCNE2CCNE1CDK2
SCHEMBL30112868 0.89 PRUNE1 (0.43) PRUNE1SLC29A1CCNE2CCNE1CDK2
SCHEMBL25190634 0.89 PRUNE1 (0.43) PRUNE1SLC29A1CCNE2CCNE1CDK2
SCHEMBL25188581 0.86 MAOB (0.46) PRUNE1SLC29A1CCNE2CCNE1CDK2
SCHEMBL30113005 0.86 MAOB (0.46) PRUNE1SLC29A1CCNE2CCNE1CDK2
SCHEMBL25184632 0.86 MAOB (0.46) PRUNE1SLC29A1CCNE2CCNE1CDK2
SCHEMBL30112951 0.86 MAOB (0.46) PRUNE1SLC29A1CCNE2CCNE1CDK2
SCHEMBL25184648 0.86 SLC29A1 (0.50) PRUNE1SLC29A1CCNE2CCNE1CDK2

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 PRUNE1 2079/4885SLC29A1 3/4885CCNE2 2604/4885

“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.

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