SCHEMBL754007

SCHEMBL754007

CC(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
PI4KA P42356 3/20 1.00
PI4K2B Q8TCG2 3/20 1.00
PI4K2A Q9BTU6 3/20 1.00
PI4KB Q9UBF8 3/20 1.00
ADORA2B P29275 2/20 1.00
CDK1 P06493 1/20 0.62
CCNB1 P14635 1/20 0.62
CCNE1 P24864 1/20 0.62
CDK2 P24941 1/20 0.62
ADA P00813 4/20 0.55
PDE2A O00408 3/20 0.55
CYP3A4 P08684 2/20 0.55
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
Hydrochloric Acid SCHEMBL30881556 0.98 ADORA2A (0.96) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24205121 0.87 ADORA2A (0.77) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL18521145 0.87 ADORA2A (0.77) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8955888 0.86 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL19779293 0.86 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5016844 0.86 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL4813561 0.86 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Hydrochloric Acid SCHEMBL9193025 0.84 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL22300665 0.83 ADORA2A (0.71) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL179437 0.83 ADORA2A (0.71) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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 507 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-12031179-B2 Methods and compositions for reducing nucleotide impurities Singular Genomics Systems, Inc. (US) 2024-07-09 US disclosed
US-12031179-B2 Methods and compositions for reducing nucleotide impurities Singular Genomics Systems, Inc. (US) 2024-07-09 US disclosed
US-12030911-B2 Synthesis and biological activity of phosphoramidimidate and phosphoramidate DNA THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2024-07-09 US disclosed
US-20240209015-A1 METHODS OF SEQUENCING USING 3' BLOCKED NUCLEOTIDES ILLUMINA, INC. 2024-06-27 US disclosed
US-20240209408-A1 ENGINEERED 3-O-KINASE VARIANTS AND METHODS OF USE CODEXIS, INC. (US) 2024-06-27 US disclosed
EP-4380930-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2024-06-12 EP disclosed
US-20240141360-A1 MODULATORS AND MODULATION OF THE RECEPTOR FOR ADVANCED GLYCATION END-PRODUCTS RNA MONASH UNIVERSITY (AU) 2024-05-02 US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-08-02 US disclosed
US-20070179116-A1 Fused Pentacyclic Polyethers UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2007-08-02 US disclosed
US-7202271-B2 Fused pentacyclic polyethers UNIVERSITY OF NORTH CAROLINA (US) 2007-04-10 US disclosed
US-7202271-B2 Fused pentacyclic polyethers UNIVERSITY OF NORTH CAROLINA (US) 2007-04-10 US disclosed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 US disclosed
US-20070042988-A1 Antiviral phosphoramidates ROCHE PALO ALTO LLC 2007-02-22 US disclosed
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-02-22 US disclosed
US-20070037771-A1 Reacting 2-Anhydro-3,5-di-O-(p-toluoyl)-2-C-methyl- alpha -D-ribofuranose with nucleophile such as cytosine, uracil, thymine, hypoxanthine, adenine, guanine, 7-deazaguanine, 7-deazaadenine, 7-deaza-2,6-diaminopurine, and 7-deazahypoxanthine, removing hydroxyl protecting groups MERCK SHARP & DOHME CORP. 2007-02-15 US disclosed
US-7157441-B2 Methods and compositions for treating hepatitis C virus IDENIX PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
US-4086347-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS, HYPOTENSIVES BOEHRINGER MANNHEIM GMBH (DT) 1978-04-25 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS ADORA2A 385/4885ADORA1 446/4885PI4KA 2825/4885
US-12030911-B2 Synthesis and biological activity of phosphoramidimidate and phosphoramidate DNA RNASEH1, RNASE1, DNASE1 ADORA2A 1751/4885ADORA1 1203/4885PI4KA 553/4885
US-20070179116-A1 Fused Pentacyclic Polyethers MUC1, CFTR, CYSLTR1 ADORA2A 2198/4885ADORA1 376/4885PI4KA 3357/4885
US-12043637-B2 Fluorescent dyes containing bis-boron fused heterocycles and uses in sequencing BLVRB, BCDIN3D, FOSB ADORA2A 3304/4885ADORA1 3504/4885PI4KA 2668/4885
US-20070042988-A1 Antiviral phosphoramidates RPP30, RNASE1, ADORA2B ADORA2A 131/4885ADORA1 22/4885PI4KA 1389/4885
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives NSUN2, NT5C3B, MTAP ADORA2A 174/4885ADORA1 283/4885PI4KA 2272/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT ADORA2A 186/4885ADORA1 249/4885PI4KA 2780/4885
US-20070037771-A1 Reacting 2-Anhydro-3,5-di-O-(p-toluoyl)-2-C-methyl- alpha -D-ribofuranose with nucleophile such as cytosine, uracil, thymine, hypoxanthine, adenine, guanine, 7-deazaguanine, 7-deazaadenine, 7-deaza-2,6-diaminopurine, and 7-deazahypoxanthine, removing hydroxyl protecting groups DUT, RNGTT, DPYD ADORA2A 81/4885ADORA1 220/4885PI4KA 3965/4885
US-20240209015-A1 METHODS OF SEQUENCING USING 3' BLOCKED NUCLEOTIDES RNGTT, NT5C3B, NSUN2 ADORA2A 67/4885ADORA1 134/4885PI4KA 2323/4885
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives NSUN2, NT5C3B, MTAP ADORA2A 195/4885ADORA1 343/4885PI4KA 2535/4885

“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.