SCHEMBL25069883

SCHEMBL25069883

CN(C(=O)OC(C)(C)C)c1cc(Cl)cc2c(C(=O)N[C@H]3C[C@H](O)C3)cnn12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGDS O60760 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
SCHEMBL21726978 0.94 TYK2 (0.38) HTR3APOLBLMNAIRAK4TYK2
SCHEMBL21246081 0.94 TYK2 (0.38) HTR3APOLBLMNAIRAK4TYK2
SCHEMBL21227353 0.92 POLB (0.40) POLBLMNAIRAK4KDM4EALDH1A1
SCHEMBL20689036 0.84 ALDH1A1 (0.39) POLBKDM4EALDH1A1TYK2
SCHEMBL20696960 0.83 TYK2 (0.38) TYK2
SCHEMBL21238770 0.81 KMT2A (0.35) IRAK4KDM4EALDH1A1MEN1KMT2A
SCHEMBL20689242 0.79 TYK2 (0.45) POLBKDM4EALDH1A1TYK2
SCHEMBL21238833 0.79 TYK2 (0.45) POLBKDM4EALDH1A1TYK2
SCHEMBL20688110 0.79 TYK2 (0.45) POLBKDM4EALDH1A1TYK2
SCHEMBL20689599 0.79 TYK2 (0.45) POLBKDM4EALDH1A1TYK2

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 HTR3A 3557/4885POLB 1657/4885LMNA 2078/4885

“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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