SCHEMBL6033879

SCHEMBL6033879

Nc1ncc(Br)cc1C(=O)Nc1cnccc1CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 13/20 0.50
IKBKE Q14164 12/20 0.50
CCNE2 O96020 2/20 0.50
CCNE1 P24864 2/20 0.50
CDK2 P24941 2/20 0.50
GSK3B P49841 2/20 0.50
PIM2 Q9P1W9 2/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
ATR Q13535 1/20 0.42
GAA P10253 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL6605909 0.96 CCNE2 (0.47) TBK1IKBKECCNE2CCNE1CDK2
SCHEMBL6035019 0.82 GSK3B (0.61) TBK1IKBKECCNE2CCNE1CDK2
SCHEMBL6033839 0.77 GSK3B (0.74) TBK1IKBKECCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL6036000 0.76 GSK3B (0.73) TBK1IKBKECCNE2CCNE1CDK2
SCHEMBL6035809 0.75 CACNA1B (0.46) TBK1IKBKECCNE2CCNE1CDK2
SCHEMBL14059578 0.74 TBK1 (0.58) TBK1IKBKEATR
SCHEMBL14059044 0.74 IKBKE (0.55) TBK1IKBKE
SCHEMBL6034173 0.73 GSK3B (0.53) TBK1IKBKECCNE2CCNE1CDK2
SCHEMBL14059394 0.72 PRKCI (0.66) TBK1IKBKEGAA
SCHEMBL3146262 0.72 PHF13 (0.50) 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 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 TBK1 737/4885IKBKE 1137/4885CCNE2 438/4885

“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.