SCHEMBL25757534

SCHEMBL25757534

COc1c(NC(=O)OC(C)(C)C)ccn2ncc(CC#N)c12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.34
IDO1 P14902 3/20 0.34
PCSK9 Q8NBP7 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
TTK P33981 1/20 0.33
AR P10275 1/20 0.32
CTSS P25774 3/20 0.32
CTSK P43235 2/20 0.32
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CPB2 Q96IY4 1/20 0.31
FGFR4 P22455 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
RET P07949 1/20 0.31
MAPKAPK2 P49137 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 0.88 PCSK9 (0.36) IDO1PCSK9BRD4KDM4EALDH1A1
SCHEMBL25757532 0.87 PCSK9 (0.36) IDO1PCSK9BRD4KDM4EALDH1A1
SCHEMBL27199460 0.86 ALDH1A1 (0.34) KDM4EALDH1A1FGFR4
SCHEMBL25756944 0.85 PCSK9 (0.35) IDO1PCSK9CTSSCTSKKDM4E
SCHEMBL25754049 0.84 RET (0.40) EGLN2TTKARRET
SCHEMBL25757533 0.82 IDO1 (0.33) IDO1PCSK9
SCHEMBL30895038 0.82 ITGA4 (0.36) IDO1PCSK9KDM4EALDH1A1CTSL
SCHEMBL30895110 0.82 DGAT1 (0.35) IDO1PCSK9
SCHEMBL25757843 0.81 PCSK9 (0.33) EGLN2IDO1PCSK9AAK1TTK
SCHEMBL25757793 0.81 NR1I2 (0.34) IDO1PCSK9AAK1

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 EGLN2 1440/4885IDO1 570/4885PCSK9 1236/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 EGLN2 1440/4885IDO1 570/4885PCSK9 1236/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 EGLN2 1440/4885IDO1 570/4885PCSK9 1236/4885

“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.