SCHEMBL3861090

SCHEMBL3861090

CC(C)(COP(C)(=O)OCC(C)(C)Cn1cnc2c(N)nc(N)nc21)Cn1cnc2c(N)nc(N)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.52
▸ CCNB1 P14635 4/20 0.52
▸ CCNE1 P24864 4/20 0.52
▸ CDK2 P24941 4/20 0.52
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ HSP90AA1 P07900 7/20 0.41
▸ HSP90AB1 P08238 7/20 0.41
▸ NT5E P21589 1/20 0.37
▸ HSP90B1 P14625 1/20 0.36
▸ TRAP1 Q12931 1/20 0.36
▸ FBP1 P09467 1/20 0.35
▸ ENPP1 P22413 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ POLA1 P09884 1/20 0.34
▸ POLG P54098 1/20 0.34
▸ FAP Q12884 1/20 0.34
▸ SLC22A6 Q4U2R8 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
SCHEMBL3855536 0.89 HSP90AB1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3861092 0.84 CCNE1 (0.48) CDK1CCNB1CCNE1CDK2PI4KA
SCHEMBL3861087 0.83 CDK1 (0.49) CDK1CCNB1CCNE1CDK2PI4KA
SCHEMBL3855226 0.81 PNP (0.52) POLG
SCHEMBL16134183 0.78 CCNE1 (0.69) CDK1CCNB1CCNE1CDK2PI4KA
SCHEMBL3855539 0.74 HSP90AB1 (0.43) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3851009 0.73 HSP90AB1 (0.44) HSP90AA1HSP90AB1HSP90B1TRAP1SLC22A6
SCHEMBL471182 0.71 CCNE1 (0.46) CDK1CCNB1CCNE1CDK2PI4KA
SCHEMBL8767031 0.70 CCNE1 (1.00) CDK1CCNB1CCNE1CDK2PI4KA
SCHEMBL28301970 0.70 CDK1 (0.65) CDK1CCNB1CCNE1CDK2HSP90AA1

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-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 — — US disclosed
EP-1656387-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2006-05-17 — — EP disclosed
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2005-03-17 — — US disclosed
WO-2005012324-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2005-02-10 — — 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-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 CDK1 359/4885CCNB1 430/4885CCNE1 522/4885

“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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