SCHEMBL441875

SCHEMBL441875

Cc1ncnc2c1ncn2C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.62
ADORA2A P29274 3/20 0.62
YTHDC1 Q96MU7 2/20 0.58
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
PMP22 Q01453 1/20 0.47
CDK1 P06493 2/20 0.45
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
ADORA2B P29275 2/20 0.37
PIK3CG P48736 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
PI4KA P42356 2/20 0.35
PI4K2B Q8TCG2 2/20 0.35
PI4K2A Q9BTU6 2/20 0.35

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
SCHEMBL320849 0.77 ADORA2A (0.41) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL30572667 0.77 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL3857168 0.77 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL5801450 0.77 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL18721931 0.77 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL106573 0.77 ADORA2A (1.00) ADORA1ADORA2AYTHDC1CDK1ADORA2B
SCHEMBL1193370 0.77 ADORA2A (0.37) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL130453 0.77 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL4734999 0.77 ADORA1 (0.60) ADORA1ADORA2AYTHDC1CYP1A2CYP2D6
SCHEMBL7147821 0.75 ADORA2A (0.96) ADORA1ADORA2AYTHDC1CDK1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024119117-A1 MODIFIED 5' CAP FOR MRNA AND METHODS OF USE THEREOF PRIME MEDICINE, INC. (US) 2024-06-06 WO disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 US 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
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 US disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 US disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
US-20070232507-A1 Amine reaction compounds comprising one or more active ingredient THE PROCTER & GAMBLE COMPANY ATTENTION: CHIEF PATENT COUNSEL (US) 2007-10-04 US disclosed
US-20070208170-A1 INTERMEDIATE AND PROCESS FOR PREPARING OF BETA- ANOMER ENRICHED 21-DEOXY,21,21-DIFLUORO-D-RIBOFURANOSYL NUCLEOSIDES DABUR PHARMA LIMITED 2007-09-06 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-7235647-B2 Intermediate and process for preparing of β- anomer enriched 21-deoxy,21,21-difluoro-D-ribofuranosyl nucleosides DABUR PHARMA LIMITED (IN) 2007-06-26 US disclosed
US-20070099818-A1 Amine reaction compounds comprising one or more active ingredient THE PROCTER & GAMBLE COMPANY (US) 2007-05-03 US disclosed
US-20070099818-A1 Amine reaction compounds comprising one or more active ingredient THE PROCTER & GAMBLE COMPANY (US) 2007-05-03 US disclosed
US-7186700-B2 β-L-2′-deoxynucleosides for the treatment of resistant HBV strains and combination therapies IDENIX PHARMACEUTICALS, INC. (US) 2007-03-06 US disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 US disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 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 (11 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 ADORA1 2287/4885ADORA2A 2409/4885YTHDC1 3655/4885
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 ADORA1 32/4885ADORA2A 64/4885YTHDC1 1124/4885
US-20070208170-A1 INTERMEDIATE AND PROCESS FOR PREPARING OF BETA- ANOMER ENRICHED 21-DEOXY,21,21-DIFLUORO-D-RIBOFURANOSYL NUCLEOSIDES GART, ST6GAL1, B4GALT1 ADORA1 748/4885ADORA2A 757/4885YTHDC1 676/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA1 32/4885ADORA2A 73/4885YTHDC1 985/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 ADORA1 2255/4885ADORA2A 3033/4885YTHDC1 4227/4885
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 ADORA1 36/4885ADORA2A 72/4885YTHDC1 951/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ADORA1 763/4885ADORA2A 336/4885YTHDC1 2961/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 ADORA1 32/4885ADORA2A 73/4885YTHDC1 985/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 ADORA1 3802/4885ADORA2A 3238/4885YTHDC1 334/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS ADORA1 1640/4885ADORA2A 900/4885YTHDC1 2667/4885
US-20210340169-A1 CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF STING1, CGAS, TLR9 ADORA1 257/4885ADORA2A 354/4885YTHDC1 1832/4885

“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.