SCHEMBL25069960

SCHEMBL25069960

CN(C(=O)OC(C)(C)C)c1cc(-c2ccn(-c3ccccc3)n2)cc2c(C(N)=O)cnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ JAK2 O60674 3/20 0.33
▸ JAK1 P23458 3/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ CLK4 Q9HAZ1 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
SCHEMBL25069959 0.93 TYK2 (0.40) TYK2IRAK4ALDH1A1HPGDHTT
SCHEMBL25069986 0.88 SMN1; SMN2 (0.42) TYK2ALDH1A1KDM4EHPGDMAPK1
SCHEMBL20689058 0.84 TYK2 (0.62) TYK2ALDH1A1KDM4EHPGDRIPK2
SCHEMBL20689065 0.80 TYK2 (0.53) TYK2ALDH1A1KDM4EHPGDMAPK1
SCHEMBL25069969 0.78 TYK2 (0.70) TYK2ALDH1A1KDM4EHPGDRIPK2
SCHEMBL21258581 0.77 TYK2 (0.52) TYK2ALDH1A1KDM4EHPGDMAPK1
SCHEMBL20689061 0.75 ALDH1A1 (0.49) TYK2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25070274 0.68 TLR8 (0.32) TLR8JAK1JAK3
SCHEMBL21238770 0.68 KMT2A (0.35) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20687904 0.67 TYK2 (0.37) TYK2ALDH1A1KDM4EHPGDTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 — — US 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-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885IRAK4 30/4885ALDH1A1 4827/4885

“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.

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