SCHEMBL21238685

SCHEMBL21238685

CN(C)C(=O)c1cnc(-n2cccc(Nc3cc(N(C)Cc4ccccc4)n4ncc(C(N)=O)c4c3)c2=O)cn1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.60
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ ZAP70 P43403 1/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL20689114 0.87 TYK2 (0.76) TYK2JAK1
SCHEMBL21238683 0.86 TYK2 (0.66) TYK2JAK1
SCHEMBL20687718 0.76 TYK2 (1.00) TYK2
SCHEMBL20679019 0.74 TYK2 (0.82) TYK2JAK1
SCHEMBL21246127 0.74 TYK2 (0.57) TYK2JAK1
SCHEMBL20689373 0.71 TYK2 (0.70) TYK2
SCHEMBL21238682 0.70 RPS6KB1 (0.41) TYK2JAK1
SCHEMBL16812533 0.69 TYK2 (0.56) TYK2JAK1
SCHEMBL21227386 0.68 TYK2 (0.55) TYK2JAK1
SCHEMBL16812418 0.66 TYK2 (0.54) 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-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 — — US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — 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 (2 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-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885SIRT2 1264/4885ZAP70 29/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885SIRT2 1264/4885ZAP70 29/4885

“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.

Send feedback