SCHEMBL6616541

SCHEMBL6616541

Nc1ncc(-c2ccc(Cl)cc2Cl)nc1C(=O)Nc1cnccc1CCN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.54
CCNE2 O96020 3/20 0.54
CCNE1 P24864 3/20 0.54
CDK2 P24941 3/20 0.54
IKBKE Q14164 2/20 0.45
TBK1 Q9UHD2 2/20 0.45
PIM2 Q9P1W9 5/20 0.44
PRKCA P17252 4/20 0.44
PRKCQ Q04759 4/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
ATR Q13535 6/20 0.43
DYRK1A Q13627 5/20 0.43
DYRK3 O43781 1/20 0.43
CSNK1E P49674 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43

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 SCHEMBL6618250 0.99 GSK3B (0.53) GSK3BCCNE2CCNE1CDK2IKBKE
SCHEMBL6614071 0.85 GSK3B (0.58) GSK3BCCNE2CCNE1CDK2IKBKE
Hydrochloric Acid SCHEMBL6656953 0.85 GSK3B (0.57) GSK3BCCNE2CCNE1CDK2IKBKE
SCHEMBL6034173 0.81 GSK3B (0.53) GSK3BCCNE2CCNE1CDK2IKBKE
Hydrochloric Acid SCHEMBL6034194 0.80 GSK3B (0.56) GSK3BCCNE2CCNE1CDK2IKBKE
Hydrochloric Acid SCHEMBL6034701 0.79 GSK3B (0.78) GSK3BCCNE2CCNE1CDK2PIM2
Hydrochloric Acid SCHEMBL6035062 0.79 GSK3B (0.78) GSK3BCCNE2CCNE1CDK2PIM2
SCHEMBL23420480 0.78 GSK3B (0.57) GSK3BPIM2PRKCAPRKCQPIM1
Hydrochloric Acid SCHEMBL6034877 0.75 GSK3B (0.76) GSK3BCCNE2CCNE1CDK2PIM2
SCHEMBL6618758 0.74 ATR (0.63) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186113-A1 Heterocyclic amines for the treatment of conditions associated with gsk-3 ASTRAZENECA AB (SE) 2004-09-23 US claimed
EP-1406877-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-04-14 EP claimed
WO-2003004475-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20040186113-A1 Heterocyclic amines for the treatment of conditions associated with gsk-3 ASTRAZENECA AB (SE) 2004-09-23 US disclosed
EP-1406877-A1 HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-04-14 EP disclosed
WO-2003004475-A1 HETEROCYCLIC AMINES 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-20040186113-A1 Heterocyclic amines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL GSK3B 2/4885CCNE2 630/4885CCNE1 214/4885

“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.