SCHEMBL25069828

SCHEMBL25069828

CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(CNC3CC3)cnn12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ CD274 Q9NZQ7 3/20 0.32
▸ PDCD1 Q15116 2/20 0.32
▸ CSNK2A1 P68400 1/20 0.31
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ PIK3CD O00329 1/20 0.30

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
SCHEMBL21963054 0.92 PIK3CD (0.33) SUV39H2PIK3CD
SCHEMBL20689679 0.84 HSP90AA1 (0.32) —
SCHEMBL20688901 0.82 ALDH1A1 (0.45) —
SCHEMBL21258474 0.81 — —
SCHEMBL20688679 0.80 USP30 (0.31) ACACBACACACDK9
SCHEMBL20689423 0.79 ALDH1A1 (0.48) —
SCHEMBL21948221 0.78 IRAK4 (0.33) —
SCHEMBL20627800 0.78 GSK3B (0.32) —
SCHEMBL20678811 0.78 KDM4E (0.41) ACACBACACACSNK2A1
SCHEMBL20689134 0.78 PAX8 (0.31) —

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 SUV39H2 706/4885ACACB 2158/4885ACACA 3051/4885

“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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