SCHEMBL25810655

SCHEMBL25810655

COC(=O)C(C)c1ccnc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MT-CO2 P00403 1/20 0.43
KMT2A Q03164 1/20 0.40
RIOK2 Q9BVS4 4/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 1/20 0.38
GSK3A P49840 2/20 0.37
MAPK10 P53779 2/20 0.37
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 1/20 0.36
AR P10275 2/20 0.36

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
SCHEMBL24031006 0.84 KMT2A (0.39) PTGS1KMT2AHPGDTDP1AR
SCHEMBL30489969 0.84 PTGS1 (0.47) PTGS1PTGS2MT-CO2KMT2ARIOK2
SCHEMBL24094531 0.84 PTGS1 (0.47) PTGS1PTGS2MT-CO2KMT2ARIOK2
SCHEMBL27845906 0.83 KDM1A (0.37) PTGS1PTGS2RIOK2GSK3AMAPK10
SCHEMBL27646025 0.82 MT-CO2 (0.48) PTGS1PTGS2MT-CO2KMT2ARIOK2
SCHEMBL29002085 0.82 MT-CO2 (0.48) PTGS1PTGS2MT-CO2KMT2ARIOK2
SCHEMBL24031007 0.81 PTGS2 (0.46) PTGS1PTGS2KMT2AHPGD
SCHEMBL29272210 0.81 PTGS1 (0.47) PTGS1PTGS2MT-CO2KMT2ARIOK2
SCHEMBL12076114 0.80 EPHX1 (0.41) RIOK2GSK3AMAPK10KDM1AHDAC1
SCHEMBL16797542 0.79 ALDH1A1 (0.48) PTGS1PTGS2MT-CO2KMT2ARIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020034-A1 CBL-B INHIBITORS AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-25 WO 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
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 2365/4885MT-CO2 3447/4885

“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.