SCHEMBL852108

SCHEMBL852108

Nc1nc2nc[nH]c2c(=O)n1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.49
CDK2 P24941 3/20 0.46
DPP4 P27487 1/20 0.46
PDPK1 O15530 1/20 0.44
GDA Q9Y2T3 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAP3K5 Q99683 1/20 0.39
PI4KA P42356 2/20 0.38
PI4K2B Q8TCG2 2/20 0.38
PI4K2A Q9BTU6 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
LMNA P02545 2/20 0.38
DRD3 P35462 1/20 0.38
XDH P47989 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
CYP2C19 P33261 2/20 0.37
PIK3CD O00329 1/20 0.37
ALPL P05186 1/20 0.37

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
SCHEMBL41788 0.81 PNP (0.50) PNPCDK2DPP4PDPK1GDA
SCHEMBL20579 0.79 DPP4 (0.50) PNPCDK2DPP4PDPK1GDA
SCHEMBL27975255 0.79 PNP (0.49) PNPCDK2DPP4PDPK1GDA
SCHEMBL8886040 0.79 PNP (0.49) PNPCDK2DPP4PDPK1GDA
SCHEMBL2983851 0.79 PNP (0.49) PNPCDK2DPP4PDPK1GDA
SCHEMBL20867 0.79 ATAD2 (0.53) PNPDPP4PDPK1GDALMNA
SCHEMBL2051365 0.79 PNP (0.49) PNPCDK2DPP4PDPK1GDA
SCHEMBL1843777 0.79 PNP (0.49) PNPCDK2DPP4PDPK1GDA
SCHEMBL21113566 0.79 PNP (0.45) PNPCDK2DPP4PDPK1GDA
SCHEMBL1047660 0.79 PNP (0.45) PNPCDK2DPP4PDPK1GDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644384-B1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF ENTECAVIR BRISTOL MYERS SQUIBB CO (US) 2012-10-31 EP disclosed
EP-2433941-A1 Process for isolating the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one Bristol-Myers Squibb Company (US) 2012-03-28 EP disclosed
CN-101130543-B Process for preparing the antiviral agent [1s-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one BRISTOL MYERS SQUIBB CO 2011-06-08 CN disclosed
CN-101130552-B Process for preparing the antiviral agent [1s-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one BRISTOL MYERS SQUIBB CO 2010-07-28 CN disclosed
US-7550619-B2 Intermediates in the preparation of the antiviral agent [1S-(1α, 3α, 4β)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxmethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7541460-B2 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-3-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
CN-100379746-C Process for the preparation of the antiviral agent [ 1S- (1 α,3 α,4 β) ] -2-amino-1, 9-dihydro-9- [ 4-hydroxy-3- (hydroxymethyl) -2-methylenecyclopentyl ] -6H-purin-6-one BRISTOL MYERS SQUIBB CO (US) 2008-04-09 CN disclosed
CN-101130552-A Process for preparing the antiviral agent [1s-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one BRISTOL MYERS SQUIBB CO (US) 2008-02-27 CN disclosed
CN-101130543-A Process for preparing the antiviral agent [1s-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one BRISTOL MYERS SQUIBB CO (US) 2008-02-27 CN disclosed
US-20060106215-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one CHAN YEUNG Y 2006-05-18 US disclosed
US-20060106216-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one PENDRI YADAGIRI R 2006-05-18 US disclosed
US-7034152-B2 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta )]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-25 US disclosed
EP-1644384-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR Bristol-Myers Squibb Company (US) 2006-04-12 EP disclosed
EP-1414822-B1 IMPROVED SYNTHESIS OF BRANCHED ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 2005-02-16 EP disclosed
US-20040192912-A1 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY 2004-09-30 US disclosed
US-20040147743-A1 Synthesis of branched acyclic nucleosides BANK OF NEW YORK, THE 2004-07-29 US disclosed
WO-2004052310-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO disclosed
EP-1414822-A1 IMPROVED SYNTHESIS OF BRANCHED ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 2004-05-06 EP disclosed
WO-2003002564-A1 IMPROVED SYNTHESIS OF BRANCHED ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 2003-01-09 WO disclosed
WO-1999030561-A1 NUCLEOTIDE-BASED PRODRUGS NEXSTAR PHARMACEUTICALS, INC. (US) 1999-06-24 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 (4 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-20040192912-A1 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one SAMHD1, NUDT1, ENTPD1 PNP 19/4885CDK2 790/4885DPP4 216/4885
US-20060106216-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one SAMHD1, NUDT1, ENTPD1 PNP 21/4885CDK2 804/4885DPP4 261/4885
US-20040147743-A1 Synthesis of branched acyclic nucleosides SI, POLL, ME1 PNP 17/4885CDK2 130/4885DPP4 1448/4885
US-20060106215-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one SAMHD1, NUDT1, ENTPD1 PNP 21/4885CDK2 804/4885DPP4 261/4885

“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.