SCHEMBL21961144

SCHEMBL21961144

CC(C)c1cn(C(C)C)c2nnccc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 2/20 0.33
▸ NFATC1 O95644 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ NTRK1 P04629 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL21948075 0.81 TYK2 (0.35) TYK2NFATC1GSK3BDYRK1ANTRK1
SCHEMBL23103370 0.81 MEN1 (0.30) —
SCHEMBL21948053 0.79 NFATC1 (0.33) TYK2NFATC1GSK3BDYRK1ANTRK1
SCHEMBL12874831 0.77 PDE4A (0.41) TYK2GSK3BDYRK1A
SCHEMBL19131359 0.75 TYK2 (0.33) TYK2NTRK1
SCHEMBL12874866 0.72 CCNE2 (0.31) —
SCHEMBL12709527 0.72 KDM4E (0.31) —
SCHEMBL12874871 0.72 LMNA (0.33) —
SCHEMBL27112101 0.72 — —
SCHEMBL12874862 0.71 LRRK2 (0.34) DYRK1A

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885NFATC1 623/4885GSK3B 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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