SCHEMBL10120458

SCHEMBL10120458

Cc1cnc2c(N)ncnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 5/20 0.39
PI4K2B Q8TCG2 5/20 0.39
PI4K2A Q9BTU6 5/20 0.39
PI4KB Q9UBF8 5/20 0.39
ADORA2A P29274 5/20 0.36
ADORA1 P30542 5/20 0.36
ALDH1A1 P00352 2/20 0.36
XDH P47989 2/20 0.36
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAP4K4 O95819 1/20 0.32
MEN1 O00255 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL22326722 0.79 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL23679750 0.76 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10149677 0.76 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22349657 0.76 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21943279 0.76 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL15340435 0.76 ACVRL1 (0.39) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL24075457 0.76 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL23476726 0.76 ENPP1 (0.40) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21636967 0.76 TLR7 (0.39) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21758936 0.74 PI4KB (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20220251135-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS BEONE MEDICINES I GMBH (CH) 2022-08-11 US disclosed
WO-2022127914-A1 NUCLEOSIDE-THIODIPHOSPHATE-HEPTOSE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH ALPK1 ACTIVITY PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2022-06-23 WO disclosed
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 US disclosed
EP-3573718-B1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH INC (US) 2022-06-01 EP disclosed
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 US disclosed
US-20210340169-A1 CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2021-11-04 US disclosed
WO-2021216572-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 WO disclosed
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 EP disclosed
WO-2020117624-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO disclosed
US-20160045526-A1 2'-DISUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-9242988-B2 2′-cyano substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20160016980-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-20150274739-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
US-9090642-B2 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2015-07-28 US disclosed
WO-2014059902-A1 2'-DISUBSTITUTED SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-04-24 WO disclosed
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
WO-2012012465-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS CLARKE, MICHAEL, O'NEIL HANRAHAN (US) 2012-01-26 WO disclosed
US-8012941-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-12-24 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-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF STING1, CGAS, TLR9 PI4KA 284/4885PI4K2B 580/4885PI4K2A 461/4885
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 PI4KA 2603/4885PI4K2B 2247/4885PI4K2A 1649/4885
US-20150274739-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES NSUN2, RNGTT, NT5C3B PI4KA 4427/4885PI4K2B 4034/4885PI4K2A 4318/4885
US-20160016980-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP PI4KA 787/4885PI4K2B 728/4885PI4K2A 961/4885
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP PI4KA 787/4885PI4K2B 728/4885PI4K2A 961/4885
US-20160045526-A1 2'-DISUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SLC28A2, SLC28A1, SLC29A2 PI4KA 4438/4885PI4K2B 4172/4885PI4K2A 4217/4885
US-20220251135-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, MAVS PI4KA 1132/4885PI4K2B 2299/4885PI4K2A 2099/4885
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT CDA, PNP, MTAP PI4KA 63/4885PI4K2B 162/4885PI4K2A 54/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 PI4KA 2603/4885PI4K2B 2890/4885PI4K2A 2680/4885
US-20210340169-A1 CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF STING1, CGAS, TLR9 PI4KA 2504/4885PI4K2B 3068/4885PI4K2A 3289/4885

“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.