SCHEMBL25810696

SCHEMBL25810696

CC(C(=O)O)c1ccc(Br)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.47
AKR1C3 P42330 9/20 0.44
AKR1C2 P52895 8/20 0.44
PTGS1 P23219 7/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
SLC22A6 Q4U2R8 2/20 0.44
TSHR P16473 2/20 0.44
ALB P02768 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX5 P09917 1/20 0.44
RARB P10826 1/20 0.44
ADRB3 P13945 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
NR1I3 Q14994 1/20 0.44
CXCL8 P10145 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL27513381 0.87 FDFT1 (0.38) PTGS2ALOX5CYP1A2
SCHEMBL22735874 0.84 EPHX1 (0.46) ALOX5
SCHEMBL23269964 0.82 FDFT1 (0.35) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL18492922 0.82 FDFT1 (0.35) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL7962599 0.81 PTGS2 (0.50) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL30489970 0.81 HPGD (0.41) PTGS2PTGS1TSHRESR1CYP1A2
SCHEMBL25295103 0.81 HPGD (0.41) PTGS2PTGS1TSHRESR1CYP1A2
SCHEMBL31240148 0.79 PTGS2 (0.48) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL600851 0.79 PTGS2 (0.48) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL6069855 0.79 PTGS2 (0.49) PTGS2AKR1C3AKR1C2PTGS1LMNA

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 5 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
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 PTGS2 2365/4885AKR1C3 885/4885AKR1C2 458/4885

“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.