SCHEMBL25478484

SCHEMBL25478484

CC(C)Cc1cnn(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
JAK1 P23458 1/20 0.33
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL25604082 0.81 JAK2 (0.32) JAK2TYK2JAK3JAK1KDM5B
SCHEMBL21501996 0.80 ACHE (0.33)
SCHEMBL22541671 0.80
SCHEMBL3760813 0.79 KDM5A (0.32) JAK2TYK2JAK3KDM5B
SCHEMBL2612382 0.78 JAK2 (0.34) JAK2TYK2JAK3JAK1KDM5B
SCHEMBL3765275 0.76 NPC1 (0.36) JAK2TYK2JAK3JAK1
SCHEMBL4762523 0.76 ESR1 (0.34) JAK2TYK2JAK3KDM5B
SCHEMBL21672546 0.76 GABRA1 (0.50) JAK2TYK2JAK3JAK1
SCHEMBL2806055 0.76 JAK2 (0.33) JAK2TYK2JAK3JAK1KDM5B
SCHEMBL19121346 0.75 CTSD (0.30)

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-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 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-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR JAK2 4298/4885TYK2 775/4885JAK3 3890/4885

“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.