SCHEMBL22031129

SCHEMBL22031129

CC(C)(C)OC(=O)Nc1csc(CN)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.46
CDK5R1 Q15078 7/20 0.46
CCNA2 P20248 4/20 0.46
CDK2 P24941 4/20 0.46
CCNA1 P78396 4/20 0.46
PI4KB Q9UBF8 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SCN9A Q15858 1/20 0.36
SREBF2 Q12772 1/20 0.36
CYP17A1 P05093 1/20 0.36
LCK P06239 2/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL22031127 0.87 CDK5 (0.44) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL24044235 0.87 CDK5 (0.44) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL22031130 0.82 CDK5 (0.39) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL20557968 0.80 CDK5 (0.42) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9481298 0.80 SMN1; SMN2 (0.47) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL7494013 0.80 HDAC3 (0.45) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL2600848 0.79 PI4KB (0.42) PI4KBCA1CA2SCN9ALCK
SCHEMBL21705628 0.79 LCK (0.41) PI4KBCA1CA2SCN9ASREBF2
SCHEMBL2642567 0.79 L3MBTL1 (0.43) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5988707 0.78 ABCB1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630111-B1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC (US) 2021-11-24 EP disclosed
US-11046694-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS, INC. (US) 2021-06-29 US disclosed
US-20200165251-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS, INC. 2020-05-28 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 (2 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-11046694-B2 Compounds and methods for treating bacterial infections MRPL21, CFTR, C5 CDK5 4226/4885CDK5R1 2362/4885CCNA2 3700/4885
US-20200165251-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MRPL21, CFTR, C5 CDK5 4226/4885CDK5R1 2362/4885CCNA2 3700/4885

“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.