SCHEMBL31065673

SCHEMBL31065673

COCCCNCCCc1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.68
CCNE2 O96020 10/20 0.68
CCNE1 P24864 10/20 0.68
CDK2 P24941 10/20 0.68
ATR Q13535 9/20 0.56
CYP3A4 P08684 1/20 0.56
GSK3A P49840 1/20 0.54
PRKDC P78527 1/20 0.54

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
SCHEMBL411691 1.00 GSK3B (0.68) GSK3BCCNE2CCNE1CDK2ATR
Hydrochloric Acid SCHEMBL411919 0.99 GSK3B (0.67) GSK3BCCNE2CCNE1CDK2ATR
Hydrochloric Acid SCHEMBL412197 0.99 GSK3B (0.67) GSK3BCCNE2CCNE1CDK2ATR
SCHEMBL411037 0.97 GSK3B (0.69) GSK3BCCNE2CCNE1CDK2ATR
Hydrochloric Acid SCHEMBL410806 0.97 GSK3B (0.68) GSK3BCCNE2CCNE1CDK2ATR
SCHEMBL410132 0.96 GSK3B (0.68) GSK3BCCNE2CCNE1CDK2ATR
Benzoic Acid SCHEMBL412075 0.94 CCNE2 (0.61) GSK3BCCNE2CCNE1CDK2ATR
SCHEMBL407802 0.92 GSK3B (0.71) GSK3BCCNE2CCNE1CDK2ATR
Hydrochloric Acid SCHEMBL411390 0.91 GSK3B (0.70) GSK3BCCNE2CCNE1CDK2ATR
SCHEMBL411424 0.88 GSK3B (0.62) GSK3BCCNE2CCNE1CDK2ATR

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-20240269129-A1 GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS FOR TREATING CTNNB1 SYNDROME THE BROAD INSTITUTE, INC. 2024-08-15 US claimed
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 1/4885CCNE2 4043/4885CCNE1 3084/4885

“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.