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Sugi Predict / Compounds / SCHEMBL25757842

SCHEMBL25757842

SCHEMBL25757842

COc1c(NC(=O)OC(C)(C)C)ccn2ncc(C(C)O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.37
▸ PCSK9 Q8NBP7 1/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ GPR139 Q6DWJ6 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ ELANE P08246 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
SCHEMBL25757843 0.89 PCSK9 (0.33) IDO1PCSK9PIK3CDABL1EGFR
SCHEMBL30895038 0.85 ITGA4 (0.36) IDO1PCSK9PIK3CDABL1EGFR
SCHEMBL30895110 0.85 DGAT1 (0.35) IDO1PCSK9PIK3CDABL1EGFR
SCHEMBL27199512 0.85 IRAK4 (0.34) PIK3CG
SCHEMBL25757793 0.84 NR1I2 (0.34) IDO1PCSK9PIK3CDABL1EGFR
SCHEMBL25757841 0.83 ATR (0.35) IDO1PCSK9BRD9ATRDGAT1
SCHEMBL30895044 0.83 PCSK9 (0.36) IDO1PCSK9GPR139BRD9ATR
SCHEMBL25757792 0.83 ATR (0.35) IDO1PCSK9BRD9ATRDGAT1
SCHEMBL25757107 0.83 ATR (0.42) IDO1BRD9ATRDGAT1
SCHEMBL25756943 0.83 IDO1 (0.37) IDO1PCSK9BRD9ATRCYP17A1

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-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 — — US disclosed
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-10-29 — — US disclosed
CN-118401516-A TYK2 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 — — CN disclosed
US-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 — — US disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 — — WO 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 (3 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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 IDO1 570/4885PCSK9 1236/4885PIK3CD 732/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 IDO1 570/4885PCSK9 1236/4885PIK3CD 732/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 IDO1 570/4885PCSK9 1236/4885PIK3CD 732/4885

“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.