SCHEMBL25757792

SCHEMBL25757792

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.35
EPHB3 P54753 4/20 0.35
BRD9 Q9H8M2 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DGAT1 O75907 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
LMNA P02545 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
SCHEMBL25757841 0.91 ATR (0.35) ATREPHB3BRD9MAPTIDO1
SCHEMBL25757107 0.91 ATR (0.42) ATREPHB3BRD9MAPTIDO1
SCHEMBL25756943 0.88 IDO1 (0.37) ATREPHB3BRD9MAPTIDO1
SCHEMBL31291214 0.87 BRD9 (0.35) ATREPHB3BRD9IDO1IRAK4
SCHEMBL18839993 0.86 MAPT (0.42) MAPTKDM4EALDH1A1MEN1HPGD
SCHEMBL28801201 0.86 BRD9 (0.38) ATREPHB3BRD9IDO1MEN1
SCHEMBL30895110 0.86 DGAT1 (0.35) ATREPHB3BRD9IDO1IRAK4
SCHEMBL30895038 0.86 ITGA4 (0.36) ATRBRD9MAPTIDO1IRAK4
SCHEMBL25757793 0.85 NR1I2 (0.34) ATREPHB3BRD9MAPTIDO1
SCHEMBL30895044 0.84 PCSK9 (0.36) ATRBRD9IDO1IRAK4KDM4E

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-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
EP-4448514-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2024-10-23 EP 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
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 ATR 189/4885EPHB3 1493/4885BRD9 442/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 ATR 189/4885EPHB3 1493/4885BRD9 442/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 ATR 189/4885EPHB3 1493/4885BRD9 442/4885

“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.