SCHEMBL25810707

SCHEMBL25810707

COC(=O)C(C)c1cccc(C(C)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE5A O76074 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 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
SCHEMBL30489980 1.00 PTGS1 (0.40) PTGS1PTGS2L3MBTL1CYP1A2ALDH1A1
SCHEMBL25260074 0.81 KDM4E (0.41) PTGS1PTGS2ALDH1A1KDM4ELMNA
SCHEMBL17827993 0.80 RAB9A (0.43) PTGS1PTGS2KMT2AMEN1TSHR
SCHEMBL12658771 0.79 ALDH1A1 (0.44) L3MBTL1CYP1A2ALDH1A1KDM4EGAA
SCHEMBL30753583 0.79 XIAP (0.46) PTGS1PTGS2ALDH1A1KMT2AKDM4E
SCHEMBL24031009 0.79 IRAK4 (0.44) PTGS1PTGS2CYP1A2ALDH1A1KMT2A
SCHEMBL30489987 0.79 IRAK4 (0.44) PTGS1PTGS2CYP1A2ALDH1A1KMT2A
SCHEMBL8373697 0.78 ALDH1A1 (0.42) L3MBTL1CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL8373694 0.78 ALDH1A1 (0.42) L3MBTL1CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL9928610 0.74 ALDH1A1 (0.42) CYP1A2ALDH1A1KDM4ELMNAALOX15

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 2365/4885L3MBTL1 1120/4885

“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.