SCHEMBL13396185

SCHEMBL13396185

CC(C)n1nnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNP P00491 9/20 0.45
XDH P47989 4/20 0.40
DHFR P00374 2/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
RICTOR Q6R327 1/20 0.38
RPTOR Q8N122 1/20 0.38
MAPKAP1 Q9BPZ7 1/20 0.38
MLST8 Q9BVC4 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 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
SCHEMBL21126210 0.89 PNP (0.44) PNPXDHDHFRMITFTP53
SCHEMBL22399284 0.85 PNP (0.44) PNPXDHDHFRMITFTP53
SCHEMBL14134250 0.82 KMT2A (0.49) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL21128392 0.80 PNP (0.43) PNPXDHHIF1A
SCHEMBL21943368 0.79 PNP (0.44) PNPXDHHIF1A
SCHEMBL24236942 0.78 HPGD (0.51) TP53
SCHEMBL4046792 0.78 PNP (0.51) PNPXDHMITFTP53THRB
SCHEMBL23619479 0.78 MEN1 (0.35) PNPXDHDHFRHIF1A
SCHEMBL21539446 0.76 PNP (0.49) PNPXDHDHFRMITFTP53
SCHEMBL21127782 0.75 PNP (0.59) PNPXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 US disclosed
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
EP-3728283-B1 3'3' 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
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2023-09-26 US disclosed
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2023-09-26 US disclosed
EP-3621624-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2023-08-30 EP disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US 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-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-06-20 US disclosed
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-02-12 US disclosed
WO-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
WO-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 US disclosed
WO-2015161137-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-10-22 WO disclosed
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 US 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 (10 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-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator STING1, MAVS, CGAS PNP 220/4885XDH 3477/4885DHFR 3864/4885
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 PNP 14/4885XDH 1268/4885DHFR 991/4885
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 PNP 4/4885XDH 965/4885DHFR 1662/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS PNP 623/4885XDH 1208/4885DHFR 4525/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS PNP 174/4885XDH 1435/4885DHFR 2688/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 PNP 305/4885XDH 16/4885DHFR 4805/4885
US-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN STING1, CGAS, IRF3 PNP 449/4885XDH 2854/4885DHFR 4477/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 PNP 14/4885XDH 1280/4885DHFR 980/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 PNP 47/4885XDH 2570/4885DHFR 3747/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 PNP 462/4885XDH 16/4885DHFR 4845/4885

“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.