SCHEMBL3853185

SCHEMBL3853185

C=C(COP(C)(=O)OCC(=C)C(CO)n1cnc2c(N)nc(N)nc21)C(CO)n1cnc2c(N)nc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.47
CDK2 P24941 5/20 0.47
CCNB1 P14635 3/20 0.47
CCNE1 P24864 3/20 0.47
NT5E P21589 1/20 0.36
AHCY P23526 4/20 0.34
PRKACA P17612 1/20 0.33
CCNA2 P20248 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
CCNA1 P78396 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HSP90B1 P14625 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HPRT1 P00492 1/20 0.32

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
SCHEMBL3853190 0.87 CDK1 (0.44) CDK1CDK2CCNB1CCNE1NT5E
SCHEMBL3852153 0.86 AHCY (0.48) AHCY
SCHEMBL13714781 0.84 HPRT1 (0.44) CDK1CDK2CCNB1CCNE1NT5E
SCHEMBL3853182 0.84 HPRT1 (0.44) CDK1CDK2CCNB1CCNE1NT5E
SCHEMBL3861068 0.77 FDPS (0.42) AHCY
SCHEMBL13714779 0.75 HPRT1 (0.43) NT5EHDAC1HDAC2HSP90AA1HSP90AB1
SCHEMBL3852157 0.73 AHCY (0.46) AHCY
SCHEMBL13743182 0.71 HPRT1 (0.45) CDK1CDK2CCNB1CCNE1NT5E
SCHEMBL13714845 0.70 FGFR1 (0.54) AHCY
SCHEMBL3852148 0.70 FGFR1 (0.54) AHCY

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 5 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
US-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2006-11-09 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 (2 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 CDK1 359/4885CDK2 323/4885CCNB1 430/4885
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 CDK1 359/4885CDK2 323/4885CCNB1 430/4885

“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.