SCHEMBL4046792

SCHEMBL4046792

Cn1nnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNP P00491 10/20 0.51
XDH P47989 4/20 0.42
TK1 P04183 1/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL21539446 0.80 PNP (0.49) PNPXDHTK1MITFTP53
SCHEMBL13395298 0.79 PNP (0.33) PNP
SCHEMBL19018642 0.79 KMT2A (0.35) PNP
SCHEMBL13850522 0.78 PNP (0.45) PNPXDHMITFTP53THRB
SCHEMBL21126204 0.78 PNP (0.48) PNPXDHMITFTP53THRB
SCHEMBL13396185 0.78 PNP (0.45) PNPXDHMITFTP53THRB
SCHEMBL13851083 0.78 PNP (0.58) PNPXDH
SCHEMBL21126210 0.77 PNP (0.44) PNPXDHMITFTP53THRB
SCHEMBL24434585 0.76 PNP (0.46) PNPXDHTK1MITFTP53
SCHEMBL21127782 0.76 PNP (0.59) PNPXDHTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566775-B2 N8- and C8-linked purine bases and structurally related heterocycles as universal nucleosides used for oligonucleotides hybridization ROCHE MOLECULAR SYSTEMS, INC. (US) 2009-07-28 US claimed
US-20060135462-A1 N8- and C8-linked purine bases and structurally related heterocycles as universal nucleosides used for oligonucleotides hybridization ROCHE MOLECULAR SYSTEMS, INC. (US) 2006-06-22 US claimed
US-7063945-B2 N8 -and c8 -linked purine based and structurally related heterocycles as universal nucleosides used oligonucleotides hybridization ROCHE MOLECULAR SYSTEMS, INC (US) 2006-06-20 US claimed
US-20040171820-A1 N8-and c8-linked purine based and structurally related heterocycles as universal nucleosides used oligonucleotides hybridization ROCHE MOLECULAR SYSTEMS, INC 2004-09-02 US claimed
EP-1301523-A1 N8 - AND C8 -LINKED PURINE BASES AND STRUCTURALLY RELATED HETEROCYCLES AS UNIVERSAL NUCLEOSIDES USED FOR OLIGONUCLEOTIDE HYBRIDIZATION Roche Diagnostics GmbH (DE) 2003-04-16 EP claimed
WO-2001072764-A1 N?8- AND C8¿-LINKED PURINE BASES AND STRUCTURALLY RELATED HETEROCYCLES AS UNIVERSAL NUCLEOSIDES USED FOR OLIGONUCLEOTIDE HYBRIDIZATION F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 WO claimed
EP-1138688-A1 N8- and C8- linked purine bases as universal nucleosides used for oligonucleotide hybridization Roche Diagnostics GmbH (DE) 2001-10-04 EP claimed
EP-1138689-A1 N8- and C8-linked purine bases as universal nucleosides used for oligonucleotide hybridization Roche Diagnostics GmbH (DE) 2001-10-04 EP claimed
EP-3728282-B1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-11-22 EP disclosed
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 US disclosed
CN-116782889-A Enhanced formulation stability and improved lyophilization process 生物技术欧洲股份公司 2023-09-19 CN disclosed
EP-4242212-A2 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING Takeda Pharmaceutical Company Limited (JP) 2023-09-13 EP disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-7063945-B2 N8 -and c8 -linked purine based and structurally related heterocycles as universal nucleosides used oligonucleotides hybridization ROCHE MOLECULAR SYSTEMS, INC (US) 2006-06-20 US disclosed
US-20040171820-A1 N8-and c8-linked purine based and structurally related heterocycles as universal nucleosides used oligonucleotides hybridization ROCHE MOLECULAR SYSTEMS, INC 2004-09-02 US disclosed
EP-1301523-A1 N8 - AND C8 -LINKED PURINE BASES AND STRUCTURALLY RELATED HETEROCYCLES AS UNIVERSAL NUCLEOSIDES USED FOR OLIGONUCLEOTIDE HYBRIDIZATION Roche Diagnostics GmbH (DE) 2003-04-16 EP disclosed
WO-2001072764-A1 N?8- AND C8¿-LINKED PURINE BASES AND STRUCTURALLY RELATED HETEROCYCLES AS UNIVERSAL NUCLEOSIDES USED FOR OLIGONUCLEOTIDE HYBRIDIZATION F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 WO disclosed
EP-1138688-A1 N8- and C8- linked purine bases as universal nucleosides used for oligonucleotide hybridization Roche Diagnostics GmbH (DE) 2001-10-04 EP disclosed
EP-1138689-A1 N8- and C8-linked purine bases as universal nucleosides used for oligonucleotide hybridization Roche Diagnostics GmbH (DE) 2001-10-04 EP 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 (5 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-20060135462-A1 N8- and C8-linked purine bases and structurally related heterocycles as universal nucleosides used for oligonucleotides hybridization NUDT1, NT5C3B, NT5C2 PNP 10/4885XDH 776/4885TK1 95/4885
US-20040171820-A1 N8-and c8-linked purine based and structurally related heterocycles as universal nucleosides used oligonucleotides hybridization NUDT1, NT5C3B, NT5C2 PNP 9/4885XDH 802/4885TK1 113/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS PNP 174/4885XDH 1435/4885TK1 216/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 PNP 47/4885XDH 2570/4885TK1 277/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 PNP 462/4885XDH 16/4885TK1 513/4885

“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.