SCHEMBL6035526

SCHEMBL6035526

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

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.71
CCNE2 O96020 13/20 0.71
CCNE1 P24864 13/20 0.71
CDK2 P24941 13/20 0.71
GSK3A P49840 1/20 0.64
ATR Q13535 6/20 0.62

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
SCHEMBL6035120 0.95 GSK3B (0.66) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL6034923 0.88 GSK3B (0.56) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL6034153 0.85 GSK3B (0.71) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL6033920 0.83 ATR (0.85) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL6034162 0.83 GSK3B (0.67) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL6034036 0.82 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL25667261 0.82 GSK3B (0.76) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL28750721 0.81 GSK3B (0.64) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3042866 0.80 ATR (0.71) ATR
SCHEMBL2484182 0.80 ATR (0.71) ATR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1551869-A Novel compound 2004-12-01 CN claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
CN-1551869-A Novel compound 2004-12-01 CN disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL GSK3B 2/4885CCNE2 438/4885CCNE1 386/4885

“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.