SCHEMBL784159

SCHEMBL784159

Cc1nc(N)c2ncn(C(C)C)c2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.73
CDK1 P06493 7/20 0.73
CCNE1 P24864 4/20 0.73
CCNB1 P14635 3/20 0.73
ADORA2A P29274 4/20 0.60
ADORA1 P30542 4/20 0.60
ADORA2B P29275 2/20 0.60
PI4KA P42356 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
PI4K2A Q9BTU6 1/20 0.60
PI4KB Q9UBF8 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.44
CCNA2 P20248 4/20 0.43
CCNA1 P78396 4/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
PIK3CA P42336 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
SCHEMBL5019514 0.87 CDK1 (0.55) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL19618131 0.87 CDK1 (0.55) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL29611365 0.84 CDK1 (1.00) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL756644 0.84 CDK1 (1.00) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL233134 0.84 ADORA2A (0.64) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL179391 0.84 CDK1 (0.53) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL179417 0.84 CDK1 (0.53) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL233129 0.84 ADORA2A (0.64) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL179433 0.84 CDK1 (0.53) CDK2CDK1CCNE1CCNB1ADORA2A
SCHEMBL27408120 0.84 CDK1 (0.53) CDK2CDK1CCNE1CCNB1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-20240016820-A1 Lipid Disulfide Prodrugs and Uses Related Thereto UNIV EMORY (US) 2024-01-18 US disclosed
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
US-11801255-B2 Lipid disulfide prodrugs and uses related thereto EMORY UNIVERSITY (US) 2023-10-31 US disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 US disclosed
EP-4234565-A2 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2023-08-30 EP disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 US disclosed
US-20130252920-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A THIONUCLEOTIDE ANALOG VERTEX PHARMACEUTICALS INC. (US) 2013-09-26 US disclosed
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-06-27 US disclosed
US-20130137650-A1 METHODS OF TREATMENT USING COMBINATION THERAPY AMBIT BIOSCIENCES CORP. (US) 2013-05-30 US disclosed
US-8357690-B2 Methods of treatment using combination therapy AMBIT BIOSCIENCES CORPORATION (US) 2013-01-22 US disclosed
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20110130440-A1 NON-NATURAL RIBONUCLEOTIDES, AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20100292177-A1 Methods of treatment using combination therapy AMBIT BIOSCIENCES CORP. 2010-11-18 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 (17 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 CDK2 4868/4885CDK1 4739/4885CCNE1 4880/4885
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 CDK2 1244/4885CDK1 428/4885CCNE1 2247/4885
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 CDK2 598/4885CDK1 231/4885CCNE1 920/4885
US-20240016820-A1 Lipid Disulfide Prodrugs and Uses Related Thereto SMPD1, SGMS1, SGMS2 CDK2 2563/4885CDK1 2513/4885CCNE1 2113/4885
US-20110130440-A1 NON-NATURAL RIBONUCLEOTIDES, AND METHODS OF USE THEREOF NSUN2, RNMT, RNGTT CDK2 4128/4885CDK1 2855/4885CCNE1 3658/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP CDK2 595/4885CDK1 1126/4885CCNE1 3249/4885
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CDK2 1492/4885CDK1 1837/4885CCNE1 3058/4885
US-11801255-B2 Lipid disulfide prodrugs and uses related thereto SMPD1, SGMS1, GSTO1 CDK2 2495/4885CDK1 2497/4885CCNE1 2032/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS CDK2 4868/4885CDK1 4739/4885CCNE1 4880/4885
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CDK2 1492/4885CDK1 1837/4885CCNE1 3058/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS CDK2 3025/4885CDK1 2787/4885CCNE1 3531/4885
US-20100292177-A1 Methods of treatment using combination therapy TOP2A, TOP2B, TOP1 CDK2 451/4885CDK1 411/4885CCNE1 647/4885
US-20130137650-A1 METHODS OF TREATMENT USING COMBINATION THERAPY TOP2A, TOP2B, TOP1 CDK2 451/4885CDK1 411/4885CCNE1 647/4885
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 CDK2 1128/4885CDK1 1860/4885CCNE1 2845/4885
US-20130252920-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A THIONUCLEOTIDE ANALOG TYMP, POLN, POLRMT CDK2 2438/4885CDK1 2679/4885CCNE1 3201/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR CDK2 2286/4885CDK1 2336/4885CCNE1 3606/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 CDK2 3886/4885CDK1 1548/4885CCNE1 2505/4885

“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.