SCHEMBL29746920

SCHEMBL29746920

CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)NC3CCC3)cnn12

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.81
▸ STAT3 P40763 1/20 0.80
▸ JAK1 P23458 3/20 0.78
▸ JAK2 O60674 1/20 0.78
▸ CYP3A4 P08684 1/20 0.78
▸ CYP2C19 P33261 1/20 0.78

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
SCHEMBL22342946 1.00 TYK2 (0.81) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL20687805 0.97 TYK2 (0.85) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL29746681 0.97 TYK2 (0.85) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL20697438 0.90 TYK2 (1.00) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL21947010 0.89 TYK2 (1.00) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL20688569 0.89 TYK2 (1.00) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL20697531 0.89 TYK2 (0.78) TYK2JAK1
SCHEMBL21947000 0.89 TYK2 (1.00) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL21960502 0.89 TYK2 (1.00) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL20688659 0.89 TYK2 (1.00) TYK2STAT3JAK1JAK2CYP3A4

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-20220135567-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2022-05-05 — — 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-20220135567-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B TYK2 1/4885STAT3 76/4885JAK1 6/4885

“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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