SCHEMBL3852279

SCHEMBL3852279

C=C(COCP(=O)(O)O)C(CO)n1cnc2c(NC3CC3)nc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
NR1I2 O75469 1/20 0.45
ALB P02768 1/20 0.45
PDE4D Q08499 1/20 0.45
NT5E P21589 6/20 0.42
ABCB1 P08183 5/20 0.41
CDK2 P24941 3/20 0.39
CDK9 P50750 2/20 0.39
HPRT1 P00492 1/20 0.38
CDK1 P06493 1/20 0.38

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
SCHEMBL13742950 0.89 POLB (0.52) POLBNR1I2ALBPDE4DNT5E
SCHEMBL3853182 0.84 HPRT1 (0.44) NT5ECDK2HPRT1CDK1
SCHEMBL13714781 0.84 HPRT1 (0.44) NT5ECDK2HPRT1CDK1
SCHEMBL13714779 0.83 HPRT1 (0.43) NT5EHPRT1
SCHEMBL3861102 0.80 POLB (0.61) POLBNR1I2ALBPDE4DNT5E
SCHEMBL6004502 0.76 HPRT1 (0.67) HPRT1
SCHEMBL31167327 0.76 POLB (0.82) POLBNR1I2ALBPDE4DNT5E
SCHEMBL1565908 0.76 POLB (0.82) POLBNR1I2ALBPDE4DNT5E
SCHEMBL13714845 0.75 FGFR1 (0.54)
SCHEMBL3852148 0.75 FGFR1 (0.54)

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 7 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-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
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 POLB 94/4885NR1I2 2915/4885ALB 4870/4885
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 POLB 94/4885NR1I2 2915/4885ALB 4870/4885

“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.