SCHEMBL22083756

SCHEMBL22083756

CO[C@H](C)n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NOS1 P29475 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HPRT1 P00492 1/20 0.36
GAA P10253 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR4 P22455 1/20 0.34

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
SCHEMBL15763710 0.88 CDK5 (0.48) KDM4ECDK5CDK5R1TSHRMEN1
SCHEMBL22571139 0.84 KDM4E (0.47) KDM4ECDK5CDK5R1TSHRMEN1
SCHEMBL22765060 0.82 KDM4E (0.48) KDM4ETSHRMEN1KMT2ANOS1
SCHEMBL10001689 0.82 KDM4E (0.48) KDM4ETSHRMEN1KMT2ANOS1
SCHEMBL20052011 0.81 KDM4E (0.47) KDM4ECDK5CDK5R1TSHRMEN1
SCHEMBL20407788 0.81 KDM4E (0.47) KDM4ECDK5CDK5R1TSHRMEN1
SCHEMBL25652395 0.80 KDM4E (0.43) KDM4ECDK5CDK5R1TSHRMEN1
SCHEMBL22968405 0.80 KDM4E (0.45) KDM4ECDK5CDK5R1TSHRMEN1
SCHEMBL22091499 0.80 KDM4E (0.47) KDM4ETSHRMEN1KMT2ANOS1
SCHEMBL22462003 0.80 KDM4E (0.47) KDM4ETSHRMEN1KMT2ANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 US disclosed
WO-2020117625-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO 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 (1 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-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 KDM4E 4039/4885CDK5 4831/4885CDK5R1 3936/4885

“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.