SCHEMBL30113048

SCHEMBL30113048

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.45
▸ NTRK1 P04629 4/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ PRUNE1 Q86TP1 1/20 0.38
▸ MAOB P27338 3/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PDE5A O76074 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ HRH4 Q9H3N8 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
SCHEMBL25191680 1.00 SLC29A1 (0.45) SLC29A1NTRK1CCNE2CCNE1CDK2
SCHEMBL25205899 0.96 PRUNE1 (0.44) SLC29A1NTRK1CCNE2CCNE1CDK2
SCHEMBL30112944 0.96 PRUNE1 (0.44) SLC29A1NTRK1CCNE2CCNE1CDK2
SCHEMBL30112951 0.90 MAOB (0.46) SLC29A1CCNE2CCNE1CDK2PRUNE1
SCHEMBL25184632 0.90 MAOB (0.46) SLC29A1CCNE2CCNE1CDK2PRUNE1
SCHEMBL30113005 0.90 MAOB (0.46) SLC29A1CCNE2CCNE1CDK2PRUNE1
SCHEMBL25188581 0.90 MAOB (0.46) SLC29A1CCNE2CCNE1CDK2PRUNE1
SCHEMBL25184648 0.90 SLC29A1 (0.50) SLC29A1CCNE2CCNE1CDK2PRUNE1
SCHEMBL25488635 0.90 SLC29A1 (0.43) SLC29A1CCNE2CCNE1CDK2CSNK1D
SCHEMBL25192473 0.89 SLC29A1 (0.46) SLC29A1CCNE2CCNE1CDK2CSNK1D

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 SLC29A1 3/4885NTRK1 2342/4885CCNE2 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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