SCHEMBL852107

SCHEMBL852107

Nc1nc2c(ncn2I)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 8/20 0.57
▸ PNP P00491 4/20 0.55
▸ TK1 P04183 2/20 0.54
▸ BLM P54132 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ EDNRA P25101 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HBB P68871 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ VCP P55072 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HIF1A Q16665 1/20 0.50

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
SCHEMBL986800 0.82 XDH (0.60) XDHPNPTK1BLMUSP2
SCHEMBL41787 0.81 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL15005119 0.81 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL27667185 0.81 XDH (0.63) XDHPNPTK1BLMUSP2
SCHEMBL23679502 0.79 HPGD (0.46) XDHPNPTK1BLMUSP2
SCHEMBL1843776 0.79 XDH (0.57) XDHPNPTK1BLMUSP2
SCHEMBL22533906 0.79 XDH (0.57) XDHPNPTK1BLMUSP2
SCHEMBL21362203 0.79 XDH (0.41) XDHPNPTK1BLMUSP2
SCHEMBL8886034 0.79 XDH (0.58) XDHPNPTK1BLMUSP2
9-Methylguanine SCHEMBL22884 0.79 XDH (0.58) XDHPNPTK1BLMUSP2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234566-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI Shenzhen (CN) 2023-08-30 — — EP disclosed
EP-4219516-A2 CHIRAL CONTROL Wave Life Sciences Ltd. (SG) 2023-08-02 — — EP disclosed
US-20230135545-A1 BIOMIMETIC G-QUARTET COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-05-04 — — US disclosed
WO-2023280156-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE 深圳华大生命科学研究院 2023-01-12 — — WO disclosed
EP-2872147-B1 METHOD FOR MAKING CHIRAL OLIGONUCLEOTIDES WAVE LIFE SCIENCES LTD (SG) 2022-12-21 — — EP disclosed
EP-3765474-B1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER (US) 2022-06-15 — — EP disclosed
WO-2022083686-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE 深圳华大生命科学研究院 2022-04-28 — — WO disclosed
US-10730904-B2 Method for liquid-phase synthesis of nucleic acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-04 — — US disclosed
EP-3401320-B1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS FOR USE IN TREATING HUMAN PAPILLOMA VIRUS, CERVICAL INTRAEPITHELIAL NEOPLASIA, ANAL INTRAEPITHELIAL NEOPLASIA, OR VULVAR INTRAEPITHELIAL NEOPLASIA UNIV CALIFORNIA (US) 2020-05-13 — — EP disclosed
WO-2019175776-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2019-09-19 — — WO 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
CN-1547582-A Synthesis of branched acyclic nucleosides ά 2004-11-17 — — CN 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 XDH 1461/4885PNP 19/4885TK1 329/4885
US-20230135545-A1 BIOMIMETIC G-QUARTET COMPOUNDS PYM1, B4GALT1, NGLY1 XDH 445/4885PNP 3663/4885TK1 2219/4885
US-10730904-B2 Method for liquid-phase synthesis of nucleic acid RNGTT, POLR2H, POLR2E XDH 580/4885PNP 266/4885TK1 104/4885
US-20040147743-A1 Synthesis of branched acyclic nucleosides SI, POLL, ME1 XDH 287/4885PNP 17/4885TK1 99/4885

“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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