SCHEMBL25484148

SCHEMBL25484148

CNc1nc(C(=O)C(=O)O)c(C)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK3 Q00526 1/20 0.45
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GFER P55789 2/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ JAK2 O60674 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ LDHA P00338 1/20 0.33

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
SCHEMBL13845545 0.81 CDK2 (0.47) CDK2CDK1CDK3GAAKMT2A
SCHEMBL13810934 0.80 ALDH1A1 (0.38) CDK2CDK1CDK3GAAKMT2A
SCHEMBL23815752 0.76 GAA (0.44) CDK2CDK1CDK3GAAKMT2A
SCHEMBL23682818 0.75 CDK2 (0.43) CDK2CDK1CDK3GAAKMT2A
SCHEMBL28195542 0.68 GAA (0.40) CDK2CDK1CDK3GAAKMT2A
SCHEMBL9965751 0.66 — —
SCHEMBL8142798 0.66 CDK2 (0.42) CDK2CDK1CDK3GAAKMT2A
SCHEMBL16995387 0.66 GAA (0.38) CDK2CDK1CDK3GAAKMT2A
SCHEMBL8554963 0.65 ALDH1A1 (0.55) CDK2GAAKMT2AGFERCCNA2
SCHEMBL23815871 0.64 GAA (0.43) CDK2CDK1CDK3GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2023-05-18 — — 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 (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-20230150996-A1 B-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS LBR, MRPL21, MRPL19 CDK2 1293/4885CDK1 736/4885CDK3 3192/4885

“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.

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