SCHEMBL25070033

SCHEMBL25070033

CCOc1ccc(-n2cccc(Nc3cc(NC)n4ncc(CNC5CC5)c4n3)c2=O)nn1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.76
▸ JAK1 P23458 2/20 0.47

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
SCHEMBL20688297 0.86 TYK2 (1.00) TYK2JAK1
SCHEMBL22342875 0.83 TYK2 (0.94) TYK2JAK1
SCHEMBL29746827 0.83 TYK2 (0.94) TYK2JAK1
SCHEMBL20688268 0.82 TYK2 (1.00) TYK2
SCHEMBL22343305 0.80 TYK2 (0.83) TYK2
SCHEMBL20688296 0.80 TYK2 (0.83) TYK2
SCHEMBL22343299 0.78 TYK2 (0.86) TYK2
SCHEMBL21778906 0.76 TYK2 (0.67) TYK2
SCHEMBL21726966 0.76 TYK2 (0.67) TYK2
SCHEMBL21963053 0.76 TYK2 (0.76) TYK2

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 1/4885JAK1 3/4885

“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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