SCHEMBL22425985

SCHEMBL22425985

C[C@H](COCc1cc(N)c2cn(C)nc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.37
▸ PPARG P37231 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ JAK2 O60674 2/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ PTPN1 P18031 4/20 0.33
▸ CDC25B P30305 4/20 0.33
▸ PTPN2 P17706 3/20 0.33
▸ CDC25A P30304 2/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ TACR1 P25103 1/20 0.32
▸ KLK7 P49862 1/20 0.31
▸ KLK5 Q9Y337 1/20 0.31
▸ CA2 P00918 2/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL22411784 1.00 PPARA (0.37) PPARAPPARGCTSSJAK2AAK1
SCHEMBL31172085 0.86 ALDH1A1 (0.42) PPARAPPARGCTSSJAK2PTPN1
SCHEMBL28687446 0.86 ALDH1A1 (0.42) PPARAPPARGCTSSJAK2PTPN1
SCHEMBL22425962 0.84 PPARA (0.37) PPARAPPARGCTSSJAK2AAK1
SCHEMBL28929792 0.80 SCN9A (0.32) —
SCHEMBL24500824 0.79 CTSS (0.41) PPARAPPARGCTSSAAK1PTPN1
SCHEMBL22412029 0.77 ALDH1A1 (0.34) TACR1
SCHEMBL22412032 0.77 ALDH1A1 (0.34) TACR1
SCHEMBL22411785 0.77 — —
SCHEMBL22411782 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113811534-B TYK2 inhibitors and uses thereof 阿鲁米斯公司 2024-10-29 — — CN disclosed
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — US disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — 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 (1 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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 PPARA 2062/4885PPARG 2574/4885CTSS 4549/4885

“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.

Send feedback