SCHEMBL6004197

SCHEMBL6004197

CC(C)C(OCC1(Cn2cnc3c(N)nc(N)nc32)CC1)(C(C)C)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.44
CCNE1 P24864 3/20 0.44
CDK1 P06493 3/20 0.44
CCNB1 P14635 2/20 0.44
CYP3A4 P08684 1/20 0.37
NT5E P21589 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HPRT1 P00492 2/20 0.36
P2RY1 P47900 3/20 0.34
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6004137 0.91 HSP90AB1 (0.41) HSP90AA1HSP90AB1
SCHEMBL3855019 0.81 FGFR1 (0.47) CDK2CCNE1CDK1CCNB1CYP3A4
SCHEMBL13714842 0.78 CCNE1 (0.44) CDK2CCNE1CDK1CCNB1CYP3A4
SCHEMBL3134817 0.77 HSP90AB1 (0.41) HSP90AA1HSP90AB1
SCHEMBL2912674 0.74 CDK1 (0.47) CDK2CCNE1CDK1CCNB1CYP3A4
SCHEMBL5720718 0.73 HSP90AB1 (0.43) HSP90AA1HSP90AB1
SCHEMBL2911587 0.73 HDAC6 (0.42) HSP90AA1HSP90AB1
SCHEMBL2909221 0.72 HPRT1 (0.34) CDK2CCNE1CDK1CCNB1HSP90AA1
SCHEMBL2913721 0.72 HSP90AB1 (0.42) NT5EHSP90AA1HSP90AB1
SCHEMBL3288147 0.72 CYP3A4 (0.52) CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2006-11-09 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-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 CDK2 323/4885CCNE1 522/4885CDK1 359/4885

“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.