SCHEMBL7654045

SCHEMBL7654045

COC(C)(C)[C@H]1CCCN1N

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.33
DPP4 P27487 1/20 0.30

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
SCHEMBL5378515 1.00 NUDT1 (0.37) NUDT1PIK3C3DPP4
SCHEMBL4607696 1.00 NUDT1 (0.37) NUDT1PIK3C3DPP4
SCHEMBL24784976 0.78 NUDT1 (0.37) NUDT1PIK3C3
SCHEMBL19275760 0.78 NUDT1 (0.37) NUDT1PIK3C3
SCHEMBL24621749 0.74 NUDT1 (0.35) NUDT1PIK3C3
SCHEMBL19275751 0.74 NUDT1 (0.35) NUDT1PIK3C3
SCHEMBL5078738 0.74 DPP4 (0.38) NUDT1PIK3C3DPP4
SCHEMBL17386672 0.71 LMNA (0.40) NUDT1PIK3C3DPP4
SCHEMBL14624925 0.67
SCHEMBL6113839 0.65

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
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 NUDT1 2399/4885PIK3C3 1504/4885DPP4 3986/4885

“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.