SCHEMBL25757532

SCHEMBL25757532

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.36
SUV39H2 Q9H5I1 4/20 0.35
IDO1 P14902 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
CYP17A1 P05093 2/20 0.32
ATR Q13535 1/20 0.32
DGAT1 O75907 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
BRD4 O60885 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
METAP1 P53582 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
SCHEMBL30895044 0.92 PCSK9 (0.36) PCSK9IDO1IRAK4BRD9CYP17A1
SCHEMBL25756944 0.89 PCSK9 (0.35) PCSK9IDO1BRD9CYP17A1ATR
SCHEMBL25757534 0.87 EGLN2 (0.34) PCSK9IDO1BRD4KDM4EALDH1A1
SCHEMBL25757533 0.86 IDO1 (0.33) PCSK9IDO1ATRMETAP1
SCHEMBL30895038 0.85 ITGA4 (0.36) PCSK9IDO1IRAK4BRD9ATR
SCHEMBL30895110 0.85 DGAT1 (0.35) PCSK9IDO1IRAK4BRD9CYP17A1
SCHEMBL27199703 0.85 IRAK4 (0.35) IRAK4KDM4EALDH1A1
SCHEMBL25757793 0.84 NR1I2 (0.34) PCSK9IDO1IRAK4BRD9ATR
SCHEMBL25757792 0.83 ATR (0.35) PCSK9IDO1IRAK4BRD9ATR
SCHEMBL25757107 0.83 ATR (0.42) IDO1IRAK4BRD9ATRDGAT1

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 PCSK9 1236/4885SUV39H2 667/4885IDO1 570/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 PCSK9 1236/4885SUV39H2 667/4885IDO1 570/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 PCSK9 1236/4885SUV39H2 667/4885IDO1 570/4885

“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.