SCHEMBL25069969

SCHEMBL25069969

CNc1cc(-c2ccn(-c3ccccc3)n2)cc2c(C(N)=O)cnn12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 12/20 0.70
▸ RIPK2 O43353 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.39
▸ TGFBR1 P36897 1/20 0.38
▸ JAK2 O60674 5/20 0.38
▸ JAK1 P23458 5/20 0.38
▸ JAK3 P52333 5/20 0.38
▸ HTT P42858 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NTRK1 P04629 1/20 0.36

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
SCHEMBL20678878 0.82 TYK2 (1.00) TYK2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL25069960 0.78 TYK2 (0.47) TYK2RIPK2TLR8TGFBR1JAK2
SCHEMBL20697093 0.72 TYK2 (1.00) TYK2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL25069959 0.69 TYK2 (0.40) TYK2HTTGAAALDH1A1HPGD
SCHEMBL25069986 0.66 SMN1; SMN2 (0.42) TYK2HTTHSD17B10KDM4EALDH1A1
SCHEMBL12681919 0.65 JAK1 (0.58) TYK2JAK2JAK1JAK3
SCHEMBL27671223 0.65 GAA (0.50) TYK2HTTGAAHSD17B10KDM4E
SCHEMBL20689058 0.64 TYK2 (0.62) TYK2RIPK2HTTHSD17B10KDM4E
Acetic Acid SCHEMBL27671247 0.63 RAB9A (0.49) TYK2HTTGAAHSD17B10KDM4E
SCHEMBL25070272 0.63 TYK2 (0.39) TYK2TLR8TGFBR1

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 1/4885RIPK2 38/4885TLR8 2339/4885

“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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