SCHEMBL240049

SCHEMBL240049

CCC(C)n1cnc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 1.00
ADORA1 P30542 6/20 1.00
ADORA2B P29275 4/20 1.00
PI4KA P42356 2/20 0.71
PI4K2B Q8TCG2 2/20 0.71
PI4K2A Q9BTU6 2/20 0.71
PI4KB Q9UBF8 2/20 0.71
ADA P00813 4/20 0.56
PDE2A O00408 3/20 0.56
CYP3A4 P08684 2/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL4572183 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL233401 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21539425 0.88 ADORA2A (0.78) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL24860314 0.86 ADORA2A (0.75) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11251758 0.86 ADORA2A (0.75) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22381495 0.85 ADORA2A (0.74) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21118434 0.84 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL754007 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21078554 0.83 ADA (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19662193 0.83 ADORA2A (0.70) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 US disclosed
US-11739325-B2 Oligonucleotide compositions and methods thereof WAVE LIFE SCIENCES LTD. (SG) 2023-08-29 US disclosed
US-11376272-B2 Methods of modulating immune activity FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-07-05 US disclosed
US-20210299155-A1 METHODS OF MODULATING IMMUNE ACTIVITY FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-30 US disclosed
US-20210032620-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2021-02-04 US disclosed
US-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-21 US disclosed
US-20200331957-A1 CYCLIC DI-NUCLEOTIDES AS STIMULATOR OF INTERFERON GENES MODULATORS AJ SCIENCES (YIXING) CO., LTD (CN) 2020-10-22 US disclosed
US-9944639-B2 Quinolizinone derivatives as PI3K inhibitors LUPIN LIMITED (IN) 2018-04-17 US disclosed
US-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2017-05-18 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 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-11376272-B2 Methods of modulating immune activity STING1, IRF3, CGAS ADORA2A 17/4885ADORA1 34/4885ADORA2B 31/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB ADORA2A 1048/4885ADORA1 2085/4885ADORA2B 1814/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA ADORA2A 1787/4885ADORA1 2434/4885ADORA2B 2523/4885
US-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING STING1, CGAS, TBK1 ADORA2A 696/4885ADORA1 780/4885ADORA2B 1077/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB ADORA2A 1048/4885ADORA1 2085/4885ADORA2B 1814/4885
US-20200331957-A1 CYCLIC DI-NUCLEOTIDES AS STIMULATOR OF INTERFERON GENES MODULATORS STING1, IRF3, CGAS ADORA2A 216/4885ADORA1 884/4885ADORA2B 859/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS ADORA2A 216/4885ADORA1 884/4885ADORA2B 859/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ADORA2A 1252/4885ADORA1 1782/4885ADORA2B 1523/4885
US-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R1, PIK3R4 ADORA2A 3136/4885ADORA1 1794/4885ADORA2B 2418/4885
US-20210299155-A1 METHODS OF MODULATING IMMUNE ACTIVITY STING1, IRF3, CGAS ADORA2A 21/4885ADORA1 30/4885ADORA2B 35/4885

“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.