SCHEMBL25070272

SCHEMBL25070272

CNc1cc(-c2c[nH]c3c(C)cc(C)cc23)cc2c(C(N)=O)cnn12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 15/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ AR P10275 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ BTK Q06187 1/20 0.33

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
SCHEMBL20678949 0.82 TYK2 (0.52) TYK2PDE4D
SCHEMBL25069969 0.63 TYK2 (0.70) TYK2TLR8TGFBR1
SCHEMBL30348968 0.61 TGFBR1 (0.52) TYK2TGFBR1
SCHEMBL20679020 0.60 TYK2 (0.83) TYK2PDE4D
SCHEMBL12748347 0.60 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C19AR
SCHEMBL21947188 0.59 TYK2 (0.61) TYK2
SCHEMBL20687743 0.59 TYK2 (0.75) TYK2
SCHEMBL30346588 0.58 TGFBR1 (0.48) TGFBR1
SCHEMBL18418463 0.58 AR (0.80) AR
SCHEMBL21726359 0.56 TYK2 (1.00) TYK2PDE4D

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 1/4885TLR8 2339/4885CYP1A2 3935/4885

“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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