SCHEMBL31065686

SCHEMBL31065686

O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)C2CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 19/20 1.00
▸ GSK3A P49840 13/20 1.00
▸ MAPT P10636 8/20 1.00

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
SCHEMBL16710978 1.00 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16710968 0.93 MAPT (1.00) GSK3BGSK3AMAPT
SCHEMBL19558485 0.93 MAPT (1.00) GSK3BGSK3AMAPT
SCHEMBL19558469 0.93 MAPT (1.00) GSK3BGSK3AMAPT
SCHEMBL16702908 0.92 GSK3B (0.88) GSK3BGSK3AMAPT
SCHEMBL16704170 0.91 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16710967 0.91 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL19558456 0.91 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL18107511 0.91 GSK3B (0.83) GSK3BGSK3AMAPT
SCHEMBL16703032 0.90 GSK3B (0.81) GSK3BGSK3AMAPT

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-20240269129-A1 GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS FOR TREATING CTNNB1 SYNDROME THE BROAD INSTITUTE, INC. 2024-08-15 — — 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-20240269129-A1 GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS FOR TREATING CTNNB1 SYNDROME GSK3B, GSK3A, CTNNB1 GSK3B 1/4885GSK3A 2/4885MAPT 1005/4885

“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