SCHEMBL25810625

SCHEMBL25810625

COC(=O)C(C)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
IDO1 P14902 1/20 0.44
CYP17A1 P05093 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
KAT6A Q92794 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL24031605 0.88 MAPK1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29800023 0.88 PTGS1 (0.48) PTGS1PTGS2HDAC3HDAC1HDAC2
SCHEMBL4396277 0.88 PTGS1 (0.48) PTGS1PTGS2HDAC3HDAC1HDAC2
SCHEMBL2349796 0.86 IDO1 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12743181 0.86 FADS1 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21377414 0.85 MEN1 (0.63) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28360251 0.85 RXFP1 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13734965 0.85 MEN1 (0.63) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29910146 0.85 RXFP1 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28032815 0.85 MEN1 (0.63) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-07-13 US disclosed
CN-115340555-A Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-11-15 CN disclosed
CN-113173924-B Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-07-19 CN disclosed
CN-113173924-A Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2021-07-27 CN 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-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof CDK9, CDK7, CDK8 PTGS1 1205/4885PTGS2 2365/4885HDAC3 512/4885

“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.