SCHEMBL25069959

SCHEMBL25069959

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ PAX8 Q06710 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ NR4A3 Q92570 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL25069960 0.93 TYK2 (0.47) TYK2IRAK4ALDH1A1HPGDHTT
SCHEMBL25069986 0.90 SMN1; SMN2 (0.42) TYK2ALDH1A1HPGDLMNAHTT
SCHEMBL20689065 0.85 TYK2 (0.53) TYK2L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL20689058 0.79 TYK2 (0.62) TYK2L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL21258581 0.78 TYK2 (0.52) TYK2L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL20689061 0.76 ALDH1A1 (0.49) TYK2ALDH1A1HPGDLMNACYP2C9
SCHEMBL21238770 0.75 KMT2A (0.35) IRAK4ALDH1A1HPGDMAPT
SCHEMBL25069969 0.69 TYK2 (0.70) TYK2L3MBTL1ALDH1A1HPGDHTT
SCHEMBL25070273 0.68 BRD4 (0.31) IRAK4
SCHEMBL21238692 0.68 TYK2 (0.42) 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 1/4885IRAK4 30/4885L3MBTL1 914/4885

“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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