SCHEMBL21948053

SCHEMBL21948053

CC(C)n1cc(I)c2ccnnc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NFATC1 O95644 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ NTRK1 P04629 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) NFATC1GSK3BDYRK1ATYK2NTRK1
SCHEMBL21961144 0.79 TYK2 (0.33) NFATC1GSK3BDYRK1ATYK2NTRK1
SCHEMBL29736370 0.77 HASPIN (0.38) —
SCHEMBL23089206 0.77 HASPIN (0.38) —
SCHEMBL19131359 0.75 TYK2 (0.33) TYK2NTRK1
SCHEMBL12984352 0.70 NTRK1 (0.41) NTRK1
SCHEMBL19130911 0.70 KDM4E (0.36) DYRK1A
SCHEMBL19131839 0.69 CCNA2 (0.31) DYRK1A
SCHEMBL21917358 0.69 DYRK1A (0.62) NFATC1GSK3BDYRK1ANTRK1
SCHEMBL15636848 0.69 NFATC1 (0.50) NFATC1GSK3BDYRK1ANTRK1

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 NFATC1 623/4885GSK3B 122/4885DYRK1A 27/4885

“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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