SCHEMBL21055816

SCHEMBL21055816

NC(=O)c1cc2n(n1)CCCO2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
MPO P05164 2/20 0.34
PDE4B Q07343 12/20 0.33
PDE4A P27815 11/20 0.33
PDE4C Q08493 11/20 0.33
PDE4D Q08499 3/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
SCN9A Q15858 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24158778 0.90 PDK1 (0.39) MGLLPDK1PDK2LMNAPOLB
SCHEMBL3548683 0.77 NPC1 (0.39) MGLLLMNAL3MBTL1
SCHEMBL21331023 0.75 PDK1 (0.39) MGLLPDK1PDK2POLB
SCHEMBL21863668 0.74 MPO (0.39) MPO
SCHEMBL23645428 0.73 RAB9A (0.41) MGLLLMNAPOLBL3MBTL1
SCHEMBL15273687 0.71 HTR2A (0.39) PDK1PDK2
SCHEMBL32681792 0.71 TP53 (0.42) LMNAPOLB
SCHEMBL23652722 0.71 MAP3K14 (0.32)
SCHEMBL23652974 0.71 GRM2 (0.36) L3MBTL1
SCHEMBL30041996 0.71 L3MBTL1 (0.32) PDK1PDK2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116075516-A Benzodiazepine derivatives useful for the treatment of respiratory syncytial virus infection 辉瑞大药厂 2023-05-05 CN claimed
CN-112689636-B Novel heteroatom aromatic amide derivative and pharmaceutical agent containing same 科研制药株式会社 2024-08-20 CN disclosed
CN-116075516-A Benzodiazepine derivatives useful for the treatment of respiratory syncytial virus infection 辉瑞大药厂 2023-05-05 CN disclosed
EP-4093509-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS F. Hoffmann-La Roche AG (CH) 2022-11-30 EP disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
CN-113332292-A 6, 7-dihydro-5H-pyrazolo [5,1-b ] [1,3] oxazine-2-carboxamide compounds 辉瑞公司 2021-09-03 CN disclosed
US-10738063-B2 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide compounds PFIZER INC. (US) 2020-08-11 US disclosed
US-10323042-B2 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide compounds PFIZER INC. (US) 2019-06-18 US 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 (2 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-10738063-B2 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide compounds PDE4B, PDE5A, PDE3B MGLL 3626/4885MPO 1363/4885PDE4B 1/4885
US-10323042-B2 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide compounds CYP3A5, CYP3A7, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MGLL 4571/4885MPO 1569/4885PDE4B 366/4885

“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.