SCHEMBL800129

SCHEMBL800129

CC(C)n1cnc2c(N)ccnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.57
ADORA1 P30542 3/20 0.57
ADORA2B P29275 2/20 0.57
PI4KA P42356 1/20 0.57
PI4K2B Q8TCG2 1/20 0.57
PI4K2A Q9BTU6 1/20 0.57
PI4KB Q9UBF8 1/20 0.57
ADA P00813 1/20 0.56
CDK1 P06493 10/20 0.51
CCNB1 P14635 8/20 0.51
CDK2 P24941 7/20 0.51
CCNE1 P24864 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.41
CCNB2 O95067 6/20 0.40
CCNB3 Q8WWL7 6/20 0.40
CCNA2 P20248 3/20 0.40
CCNA1 P78396 3/20 0.40
CDK5 Q00535 2/20 0.40
DYRK1A Q13627 2/20 0.40
CDK5R1 Q15078 2/20 0.40

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
SCHEMBL24236859 0.88 ADA (0.54) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22326755 0.83 ADORA2A (0.61) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL784184 0.80 ADORA2A (0.50) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL3510456 0.79 ADORA2A (0.49) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18510393 0.79 ADORA2A (0.49) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL23547298 0.79 ADORA2A (0.49) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL25001340 0.77 ADA (0.64) ADASMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL18510390 0.76 ADORA2A (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18510360 0.76 ADORA2A (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18510385 0.76 ADORA2A (0.46) 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 150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043637-B2 Fluorescent dyes containing bis-boron fused heterocycles and uses in sequencing ILLUMINA CAMBRIDGE LIMITED (GB) 2024-07-23 US disclosed
US-20240240182-A1 HUMAN CHROMOSOME 9 OPEN READING FRAME 72 (C9ORF72) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2024-07-18 US disclosed
US-20240240182-A1 HUMAN CHROMOSOME 9 OPEN READING FRAME 72 (C9ORF72) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2024-07-18 US disclosed
US-12031178-B2 Cyclooctatetraene containing dyes and compositions ILLUMINA CAMBRIDGE LIMITED (GB) 2024-07-09 US disclosed
US-20240209373-A1 ELONGATION OF VERY LONG CHAIN FATTY ACIDS PROTEIN 1 (ELOVL1) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240209374-A1 iRNA COMPOSITIONS AND METHODS FOR SILENCING CHITINASE 3-LIKE PROTEIN 1/YKL-40 (CHI3L1/YKL-40) PROTEIN ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240209374-A1 iRNA COMPOSITIONS AND METHODS FOR SILENCING CHITINASE 3-LIKE PROTEIN 1/YKL-40 (CHI3L1/YKL-40) PROTEIN ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240209339-A1 REDIRECTING RISC FOR RNA EDITING ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240209339-A1 REDIRECTING RISC FOR RNA EDITING ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20110237529-A1 Adenosine Analogs and Their Use MICRODOSE THERAPEUTX, INC 2011-09-29 US disclosed
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 US disclosed
US-20100022620-A1 EPITOPE REDUCTION THERAPY ISIS INNOVATION LIMITED (GB) 2010-01-28 US disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-08-02 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 (13 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS ADORA2A 385/4885ADORA1 446/4885ADORA2B 827/4885
US-12043637-B2 Fluorescent dyes containing bis-boron fused heterocycles and uses in sequencing BLVRB, BCDIN3D, FOSB ADORA2A 3304/4885ADORA1 3504/4885ADORA2B 954/4885
US-20110237529-A1 Adenosine Analogs and Their Use P2RY2, P2RY1, P2RY11 ADORA2A 8/4885ADORA1 12/4885ADORA2B 19/4885
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP ADORA2A 708/4885ADORA1 815/4885ADORA2B 369/4885
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 ADORA2A 877/4885ADORA1 2126/4885ADORA2B 1054/4885
US-20240209339-A1 REDIRECTING RISC FOR RNA EDITING ADAR, AGO2, METTL16 ADORA2A 422/4885ADORA1 608/4885ADORA2B 780/4885
US-20240209374-A1 iRNA COMPOSITIONS AND METHODS FOR SILENCING CHITINASE 3-LIKE PROTEIN 1/YKL-40 (CHI3L1/YKL-40) PROTEIN CHI3L1, CHIA, CHI3L2 ADORA2A 3823/4885ADORA1 2776/4885ADORA2B 3889/4885
US-20100016252-A1 Mannich Base N-Oxide Drugs ASAH2, MAN2B1, NNT ADORA2A 472/4885ADORA1 625/4885ADORA2B 288/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 ADORA2A 116/4885ADORA1 295/4885ADORA2B 412/4885
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 ADORA2A 205/4885ADORA1 189/4885ADORA2B 305/4885
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives NSUN2, NT5C3B, MTAP ADORA2A 195/4885ADORA1 343/4885ADORA2B 454/4885
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP ADORA2A 222/4885ADORA1 268/4885ADORA2B 406/4885
US-20100022620-A1 EPITOPE REDUCTION THERAPY UGCG, GBA1, ENGASE ADORA2A 4836/4885ADORA1 4839/4885ADORA2B 4723/4885

“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.