SCHEMBL25235508

SCHEMBL25235508

N#C[C@H]1CC[C@H](Nc2c(N)cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
HTR6 P50406 11/20 0.35
DRD2 P14416 4/20 0.35
HTR2A P28223 2/20 0.35
CCR6 P51684 2/20 0.35
DRD3 P35462 2/20 0.34
PDE4B Q07343 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
BCHE P06276 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
GPR6 P46095 1/20 0.32
MAPK1 P28482 1/20 0.32
RORC P51449 1/20 0.32
FGFR4 P22455 1/20 0.32

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
SCHEMBL30480438 1.00 CYP2C19 (0.36) CYP2C19HTR6DRD2HTR2ACCR6
SCHEMBL2222679 1.00 CYP2C19 (0.36) CYP2C19HTR6DRD2HTR2ACCR6
SCHEMBL2279682 0.90 CYP2C19 (0.34) CYP2C19HTR6DRD2HTR2ACCR6
SCHEMBL14644516 0.88 CDK7 (0.39) CYP2C19HTR6DRD2HTR2ADRD3
SCHEMBL26246793 0.88 PDE4B (0.41) CYP2C19HTR6DRD2HTR2ADRD3
SCHEMBL20266922 0.88 JAK1 (0.39) CYP2C19HTR6DRD2HTR2ACCR6
SCHEMBL20266923 0.88 JAK1 (0.39) CYP2C19HTR6DRD2HTR2ACCR6
SCHEMBL21091383 0.88 JAK1 (0.39) CYP2C19HTR6DRD2HTR2ACCR6
SCHEMBL2273309 0.87 ITK (0.38) CYP2C19HTR6DRD2HTR2ADRD3
SCHEMBL2222165 0.87 PDE4B (0.43) CYP2C19HTR6DRD2HTR2ADRD3

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
US-20240383898-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION YIYOU BIOTECH (SHANGHAI) CO., LTD. (CN) 2024-11-21 US disclosed
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 EP disclosed
CN-116925077-A Pyrido ring compound, and preparation method, intermediate, composition and application thereof 一又生物(上海)有限公司 2023-10-24 CN disclosed
WO-2023115327-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION 中国药科大学 2023-06-29 WO disclosed
CN-114149428-B Pyrido ring compound, and preparation method, intermediate, composition and application thereof 中国药科大学 2023-06-13 CN disclosed
CN-114149428-A Pyridine-fused ring compound and preparation method, intermediate, composition and application thereof 中国药科大学 2022-03-08 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-20240383898-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION JAK1, WEE1, JAK2 CYP2C19 757/4885HTR6 2829/4885DRD2 4278/4885

“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.