SCHEMBL756644

SCHEMBL756644

CC(C)n1cnc2c(N)nc(N)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 1.00
CDK2 P24941 6/20 1.00
CCNB1 P14635 3/20 1.00
CCNE1 P24864 3/20 1.00
ADORA2A P29274 4/20 0.62
ADORA1 P30542 3/20 0.62
ADORA2B P29275 2/20 0.62
PI4KA P42356 1/20 0.62
PI4K2B Q8TCG2 1/20 0.62
PI4K2A Q9BTU6 1/20 0.62
PI4KB Q9UBF8 1/20 0.62
CCNA2 P20248 2/20 0.53
CCNA1 P78396 2/20 0.53
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53
PRKACB P22694 1/20 0.53
MAPK3 P27361 1/20 0.53
MAPK1 P28482 1/20 0.53
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46

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
SCHEMBL29611365 1.00 CDK1 (1.00) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL24239234 0.88 CDK1 (0.78) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL28083712 0.86 CDK1 (0.76) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL784159 0.84 CDK2 (0.73) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL16080845 0.84 CDK2 (0.73) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL24236940 0.84 CDK1 (0.72) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL21539217 0.83 CDK1 (0.71) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL24235899 0.83 CDK2 (0.71) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL21540017 0.83 CDK1 (0.71) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL23641811 0.83 CDK1 (0.71) CDK1CDK2CCNB1CCNE1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840551-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-12-12 US disclosed
US-11840551-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-12-12 US disclosed
US-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. 2023-11-23 US disclosed
EP-3728283-B1 3'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-11-22 EP disclosed
EP-3728282-B1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-11-22 EP disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 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
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2023-09-26 US disclosed
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-20090281299-A1 OLIGONUCLEOTIDES COMPRISING A NON-PHOSPHATE BACKBONE LINKAGE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-7615618-B2 Oligonucleotides comprising a non-phosphate backbone linkage ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-10 US disclosed
US-7615618-B2 Oligonucleotides comprising a non-phosphate backbone linkage ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-10 US disclosed
US-7579451-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579451-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2009-08-06 US disclosed
US-7238795-B2 Nucleic acid binding compounds containing pyrazolo[3,4-d]pyrimidine analogues of purin-2,6-diamine and their uses ROCHE MOLECULAR SYSTEMS, INC. (US) 2007-07-03 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-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 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 (9 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-20230374058-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 CDK1 428/4885CDK2 1244/4885CCNB1 1651/4885
US-20090281299-A1 OLIGONUCLEOTIDES COMPRISING A NON-PHOSPHATE BACKBONE LINKAGE DUT, PNP, RNGTT CDK1 1838/4885CDK2 1677/4885CCNB1 2441/4885
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator STING1, MAVS, CGAS CDK1 3802/4885CDK2 4017/4885CCNB1 4735/4885
US-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS DCX, NGF, BDNF CDK1 455/4885CDK2 540/4885CCNB1 1941/4885
US-11840551-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 PHKA1, PHKA2, PRKCA CDK1 114/4885CDK2 223/4885CCNB1 634/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT CDK1 3079/4885CDK2 1336/4885CCNB1 3030/4885
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE NT5C3B, DERA, DUT CDK1 4245/4885CDK2 2615/4885CCNB1 3934/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS CDK1 2787/4885CDK2 3025/4885CCNB1 3587/4885
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 PHKA1, PHKA2, PRKCA CDK1 114/4885CDK2 223/4885CCNB1 634/4885

“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.