SCHEMBL6035019

SCHEMBL6035019

Nc1ncc(Br)nc1C(=O)Nc1cnccc1CN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.61
CCNE2 O96020 3/20 0.61
CCNE1 P24864 3/20 0.61
CDK2 P24941 3/20 0.61
TBK1 Q9UHD2 3/20 0.54
IKBKE Q14164 2/20 0.54
PIM2 Q9P1W9 8/20 0.50
PIM1 P11309 7/20 0.50
PIM3 Q86V86 7/20 0.50
GRM5 P41594 1/20 0.47
ATR Q13535 2/20 0.47
DYRK1A Q13627 2/20 0.44
PRKCA P17252 2/20 0.44
PRKCQ Q04759 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL6034173 0.90 GSK3B (0.53) GSK3BCCNE2CCNE1CDK2TBK1
SCHEMBL6033879 0.82 TBK1 (0.50) GSK3BCCNE2CCNE1CDK2TBK1
SCHEMBL23419869 0.81 GSK3B (0.69) GSK3BCCNE2CCNE1CDK2TBK1
SCHEMBL11906844 0.81 PIM2 (0.76) GSK3BPIM2PIM1PIM3ATR
SCHEMBL6035375 0.80 GSK3B (0.60) GSK3BCCNE2CCNE1CDK2PIM2
Hydrochloric Acid SCHEMBL6034693 0.80 GSK3B (0.88) GSK3BCCNE2CCNE1CDK2TBK1
SCHEMBL6605909 0.79 CCNE2 (0.47) GSK3BCCNE2CCNE1CDK2TBK1
SCHEMBL1800565 0.77 ATR (0.58) GSK3BPIM2PIM1PIM3GRM5
Hydrochloric Acid SCHEMBL6034900 0.76 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2
SCHEMBL6035809 0.76 CACNA1B (0.46) GSK3BCCNE2CCNE1CDK2TBK1

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.