SCHEMBL24031007

SCHEMBL24031007

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.46
PTGS1 P23219 8/20 0.46
AKR1C3 P42330 11/20 0.44
AKR1C2 P52895 11/20 0.44
SLC22A6 Q4U2R8 3/20 0.44
MAPT P10636 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CXCL8 P10145 1/20 0.44
THPO P40225 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
SCHEMBL27845906 0.87 KDM1A (0.37) PTGS2PTGS1AKR1C3AKR1C2MAPT
SCHEMBL12076114 0.84 EPHX1 (0.41) SMN1; SMN2KDM4EALDH1A1
SCHEMBL7962904 0.81 PTGS1 (0.50) PTGS2PTGS1AKR1C3AKR1C2SLC22A6
SCHEMBL25810655 0.81 PTGS1 (0.47) PTGS2PTGS1HPGDKMT2A
SCHEMBL6947700 0.79 AKR1C3 (0.51) PTGS2PTGS1AKR1C3AKR1C2SLC22A6
SCHEMBL24031006 0.79 KMT2A (0.39) PTGS1AKR1C3AKR1C2SMN1; SMN2ALDH1A1
SCHEMBL14943113 0.79 AKR1C3 (0.51) PTGS2PTGS1AKR1C3AKR1C2SLC22A6
SCHEMBL2183698 0.79 AKR1C3 (0.44) PTGS2PTGS1AKR1C3AKR1C2SLC22A6
SCHEMBL27845909 0.79 HSD17B10 (0.47) SMN1; SMN2KDM4EALDH1A1CYP3A4HPGD
Hydrochloric Acid SCHEMBL6945545 0.77 GABRP (0.49) PTGS2PTGS1AKR1C3AKR1C2SLC22A6

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
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
WO-2021227906-A1 PYRIDINE ACETAMIDE DERIVATIVE SERVING AS CDK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2021-11-18 WO 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 2365/4885PTGS1 1205/4885AKR1C3 885/4885

“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.