SCHEMBL3388562

SCHEMBL3388562

O=C(NCCCNc1nc(Nc2ccc3cnn(C4CC4)c3c2)ncc1C1CC1)C1CCC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 19/20 0.75
PDPK1 O15530 1/20 0.68
MARK3 P27448 3/20 0.67
CDK2 P24941 2/20 0.67
IKBKE Q14164 2/20 0.67
BRSK2 Q8IWQ3 2/20 0.67
AURKB Q96GD4 2/20 0.67
MKNK1 Q9BUB5 2/20 0.67
ULK1 O75385 1/20 0.65
ULK2 Q8IYT8 1/20 0.65
MARK4 Q96L34 1/20 0.65
STK17A Q9UEE5 1/20 0.65

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
SCHEMBL3388988 0.94 TBK1 (0.82) TBK1PDPK1MARK3CDK2IKBKE
SCHEMBL13431891 0.91 TBK1 (0.89) TBK1PDPK1MARK3CDK2IKBKE
SCHEMBL13432213 0.88 TBK1 (0.72) TBK1PDPK1MARK3CDK2IKBKE
SCHEMBL13431890 0.85 TBK1 (1.00) TBK1PDPK1MARK3CDK2IKBKE
SCHEMBL13431937 0.84 TBK1 (0.77) TBK1PDPK1MARK3CDK2IKBKE
SCHEMBL13431986 0.83 TBK1 (0.79) TBK1PDPK1MARK3CDK2IKBKE
SCHEMBL13431837 0.83 TBK1 (0.79) TBK1PDPK1MARK3CDK2IKBKE
SCHEMBL13431967 0.82 TBK1 (0.73) TBK1PDPK1MARK3CDK2IKBKE
SCHEMBL13431851 0.82 TBK1 (0.76) TBK1PDPK1MARK3CDK2IKBKE
SCHEMBL13431880 0.82 TBK1 (0.70) TBK1PDPK1MARK3CDK2IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 TBK1 2898/4885PDPK1 2468/4885MARK3 1239/4885

“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.