SCHEMBL6034759

SCHEMBL6034759

CN1CCCN(C(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1

nearest known ligand 0.93

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.93
CCNE2 O96020 8/20 0.93
CCNE1 P24864 8/20 0.93
CDK2 P24941 8/20 0.93
ATR Q13535 11/20 0.77
PRKDC P78527 1/20 0.70
GSK3A P49840 1/20 0.68

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
Hydrochloric Acid SCHEMBL6034036 0.96 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2ATR
SCHEMBL2480888 0.88 ATR (1.00) GSK3BCCNE2CCNE1CDK2ATR
SCHEMBL2486873 0.85 ATR (1.00) GSK3BCCNE2CCNE1CDK2ATR
SCHEMBL6035087 0.84 ATR (0.84) GSK3BCCNE2CCNE1CDK2ATR
SCHEMBL3331512 0.83 GSK3B (0.93) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL2511614 0.83 ATR (1.00) ATRPRKDC
Hydrochloric Acid SCHEMBL6034735 0.83 GSK3B (0.92) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL2484317 0.82 ATR (1.00) ATRPRKDC
SCHEMBL29733651 0.81 GSK3B (1.00) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL3327702 0.81 GSK3B (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US 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
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.