SCHEMBL25667261

SCHEMBL25667261

CN1CCC(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.76
CCNE2 O96020 16/20 0.76
CCNE1 P24864 16/20 0.76
CDK2 P24941 16/20 0.76
GSK3A P49840 1/20 0.76
ATR Q13535 2/20 0.61
PRKDC P78527 1/20 0.61
ATM Q13315 1/20 0.61

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
SCHEMBL6034153 0.87 GSK3B (0.71) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL29733651 0.86 GSK3B (1.00) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3327702 0.86 GSK3B (1.00) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL6606349 0.85 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL6035107 0.85 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL6034162 0.84 GSK3B (0.67) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3331512 0.83 GSK3B (0.93) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL6034735 0.83 GSK3B (0.92) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL28750721 0.82 GSK3B (0.64) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL6035526 0.82 GSK3B (0.71) GSK3BCCNE2CCNE1CDK2GSK3A

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-20230190767-A1 COMPOSITIONS AND METHODS FOR ENHANCING WNT SIGNALING FOR TREATING CANCER MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-06-22 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-20230190767-A1 COMPOSITIONS AND METHODS FOR ENHANCING WNT SIGNALING FOR TREATING CANCER APC, WNT3A, WNT3 GSK3B 6/4885CCNE2 575/4885CCNE1 295/4885

“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.