SCHEMBL30747744

SCHEMBL30747744

CCP(C)(=O)c1nc(NCc2ccc(OC)cc2)c2ncn(Cc3ccc(OC)cc3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.61
CCNE2 O96020 8/20 0.55
CCNE1 P24864 8/20 0.55
CDK2 P24941 8/20 0.55
CDK1 P06493 2/20 0.53
TDP1 Q9NUW8 1/20 0.51
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49

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
SCHEMBL27249598 1.00 CTSL (0.61) CTSLCCNE2CCNE1CDK2CDK1
SCHEMBL30747777 0.94 CTSL (0.58) CTSLCCNE2CCNE1CDK2CDK1
SCHEMBL27249658 0.94 CTSL (0.58) CTSLCCNE2CCNE1CDK2CDK1
SCHEMBL30747726 0.93 CTSL (0.60) CTSLCCNE2CCNE1CDK2CDK1
SCHEMBL27249677 0.93 CTSL (0.60) CTSLCCNE2CCNE1CDK2CDK1
SCHEMBL30747819 0.93 CTSL (0.62) CTSLCCNE2CCNE1CDK2CDK1
SCHEMBL27249494 0.93 CTSL (0.62) CTSLCCNE2CCNE1CDK2CDK1
SCHEMBL30747798 0.83 CCNE2 (0.77) CTSLCCNE2CCNE1CDK2CDK1
SCHEMBL27249486 0.83 CCNE2 (0.77) CTSLCCNE2CCNE1CDK2CDK1
SCHEMBL27249493 0.80 CTSL (0.64) CTSLCCNE2CCNE1CDK2CDK1

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-20250215032-A1 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-07-03 US disclosed
EP-4554678-A1 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-05-21 EP disclosed
WO-2024013205-A9 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2025-04-10 WO disclosed
WO-2024013205-A1 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-18 WO 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-20250215032-A1 PHOSPHORYLPURINONE COMPOUNDS FOR THE TREATMENT OF CANCER CDK1, UPP1, CDK10 CTSL 2377/4885CCNE2 653/4885CCNE1 125/4885

“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.