SCHEMBL3385833

SCHEMBL3385833

CN1CCC(c2ccc(Nc3ncc(C4CC4)c(NCCCN)n3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 5/20 0.71
STK17A Q9UEE5 10/20 0.59
ULK1 O75385 3/20 0.54
ULK2 Q8IYT8 3/20 0.54
STAT6 P42226 1/20 0.53
MAP4K1 Q92918 1/20 0.49
STK17B O94768 5/20 0.49
CDK2 P24941 2/20 0.48
MARK3 P27448 2/20 0.48
IKBKE Q14164 2/20 0.48
BRSK2 Q8IWQ3 2/20 0.48
AURKB Q96GD4 2/20 0.48
MKNK1 Q9BUB5 2/20 0.48

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
SCHEMBL3384653 0.87 STK17A (0.60) TBK1STK17AULK1ULK2STK17B
SCHEMBL3385828 0.86 TBK1 (0.70) TBK1ULK1ULK2STAT6MAP4K1
SCHEMBL3385882 0.85 ULK1 (0.71) TBK1STK17AULK1ULK2STK17B
SCHEMBL3384595 0.84 ULK1 (0.75) TBK1STK17AULK1ULK2STK17B
SCHEMBL3389450 0.84 TBK1 (0.58) TBK1STK17AULK1ULK2STK17B
SCHEMBL3386024 0.83 TBK1 (0.52) TBK1STK17AULK1ULK2STK17B
SCHEMBL3383920 0.83 TBK1 (0.77) TBK1ULK1ULK2CDK2MARK3
SCHEMBL13431926 0.83 TBK1 (1.00) TBK1ULK1ULK2CDK2MARK3
SCHEMBL3386298 0.82 TBK1 (0.62) TBK1STK17AULK1ULK2STK17B
SCHEMBL3385958 0.82 STK17A (0.68) TBK1STK17ASTK17B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2898/4885STK17A 381/4885ULK1 2369/4885

“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.