SCHEMBL22326763

SCHEMBL22326763

CCc1nc2c(ncn2C(C)C)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.48
CDK1 P06493 8/20 0.44
CDK2 P24941 7/20 0.44
CCNE1 P24864 3/20 0.44
CCNB1 P14635 3/20 0.44
HPGD P15428 1/20 0.41
HPRT1 P00492 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
CDK9 P50750 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL754057 0.80 CDK2 (0.47) PDE2ACDK1CDK2CCNE1CCNB1
SCHEMBL25979404 0.79 CDK1 (0.41) PDE2ACDK1CDK2CCNE1CCNB1
SCHEMBL22907592 0.79 CDK2 (0.46) PDE2ACDK1CDK2CCNE1CCNB1
SCHEMBL2385929 0.79 HPRT1 (0.55) CDK1CDK2CCNE1CCNB1HPRT1
SCHEMBL18521157 0.79 CDK2 (0.46) PDE2ACDK1CDK2CCNE1CCNB1
SCHEMBL18520809 0.79 CDK2 (0.46) PDE2ACDK1CDK2CCNE1CCNB1
SCHEMBL22942534 0.77 HPGD (0.41) PDE2ACDK2CCNE1HPGDADORA3
SCHEMBL17282460 0.77 CDK2 (0.44) PDE2ACDK1CDK2CCNE1CCNB1
SCHEMBL25469093 0.75 KDM4E (0.43) PDE2ACDK1CDK2CCNE1CCNB1
SCHEMBL25468187 0.73 CDK2 (0.41) PDE2ACDK1CDK2CCNE1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227798-A1 MODIFIED THERMOCCOCUS POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2023-07-20 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20210079364-A1 MODIFIED THERMOCCOCUS POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2021-03-18 US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 US disclosed
US-10738072-B1 Nucleotide analogues Singular Genomics Systems, Inc. (US) 2020-08-11 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 (4 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-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS PDE2A 480/4885CDK1 4739/4885CDK2 4868/4885
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 PDE2A 168/4885CDK1 1595/4885CDK2 3673/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 PDE2A 153/4885CDK1 1642/4885CDK2 3890/4885
US-10738072-B1 Nucleotide analogues NUDT1, POLN, TYMP PDE2A 1102/4885CDK1 2156/4885CDK2 1698/4885

“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.