SCHEMBL852109

SCHEMBL852109

O=c1[nH]c(NI)nc2nc[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.63
XDH P47989 3/20 0.58
PNP P00491 1/20 0.57
POLA1 P09884 1/20 0.55

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
SCHEMBL2051369 0.83 GDA (0.63) GDAXDHPNPPOLA1
SCHEMBL29407603 0.83 GDA (0.63) GDAXDHPNPPOLA1
SCHEMBL20580 0.83 GDA (0.63) GDAXDHPNPPOLA1
SCHEMBL22885 0.83 GDA (0.68) GDAXDHPNPPOLA1
SCHEMBL2983854 0.83 GDA (0.68) GDAXDHPNPPOLA1
SCHEMBL8886042 0.83 GDA (0.63) GDAXDHPNPPOLA1
SCHEMBL41789 0.83 GDA (0.63) GDAXDHPNPPOLA1
SCHEMBL1843779 0.83 GDA (0.63) GDAXDHPNPPOLA1
SCHEMBL29174357 0.82 GDA (0.58) GDAXDHPNPPOLA1
SCHEMBL9960821 0.81 XDH (0.69) GDAXDHPNPPOLA1

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-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
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
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 GDA 683/4885XDH 1461/4885PNP 19/4885
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 GDA 686/4885XDH 1527/4885PNP 21/4885
US-20040147743-A1 Synthesis of branched acyclic nucleosides SI, POLL, ME1 GDA 153/4885XDH 287/4885PNP 17/4885
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 GDA 686/4885XDH 1527/4885PNP 21/4885

“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.