SCHEMBL21947128

SCHEMBL21947128

CNc1cc(-c2cnc3[nH]cccc2-3)nc2c(C(N)=O)cnn12

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.58
▸ GSK3B P49841 1/20 0.42

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
SCHEMBL21948282 0.92 TYK2 (0.48) TYK2GSK3B
SCHEMBL21948508 0.84 TYK2 (0.59) TYK2
SCHEMBL21948041 0.82 TYK2 (0.63) TYK2
SCHEMBL21948297 0.81 TYK2 (0.68) TYK2
SCHEMBL21963239 0.74 TYK2 (0.82) TYK2
SCHEMBL21947906 0.74 TYK2 (0.71) TYK2
SCHEMBL20689000 0.74 TYK2 (0.62) TYK2
SCHEMBL20678841 0.73 TYK2 (1.00) TYK2
SCHEMBL29789046 0.72 TYK2 (0.78) TYK2
SCHEMBL20678949 0.72 TYK2 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — US disclosed
WO-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — WO 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885GSK3B 122/4885

“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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