SCHEMBL3384653

SCHEMBL3384653

CN1CCN(c2ccc(Nc3ncc(C4CC4)c(NCCCN)n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 4/20 0.60
STK17B O94768 2/20 0.59
TBK1 Q9UHD2 3/20 0.58
CDK2 P24941 1/20 0.58
MARK3 P27448 1/20 0.58
IKBKE Q14164 1/20 0.58
BRSK2 Q8IWQ3 1/20 0.58
AURKB Q96GD4 1/20 0.58
MKNK1 Q9BUB5 1/20 0.58
ULK1 O75385 3/20 0.53
ULK2 Q8IYT8 3/20 0.53
SYK P43405 2/20 0.52
ALK Q9UM73 2/20 0.52
TNK2 Q07912 4/20 0.51
BRD4 O60885 2/20 0.51
CHEK1 O14757 1/20 0.51
JAK2 O60674 1/20 0.51
ABL1 P00519 1/20 0.51
LCK P06239 1/20 0.51
ROS1 P08922 1/20 0.51

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
SCHEMBL3387727 0.89 TBK1 (0.71) STK17ASTK17BTBK1CDK2MARK3
SCHEMBL3389183 0.89 TBK1 (0.59) STK17ASTK17BTBK1CDK2MARK3
SCHEMBL3389450 0.89 TBK1 (0.58) STK17ASTK17BTBK1CDK2MARK3
SCHEMBL3385833 0.87 TBK1 (0.71) STK17ASTK17BTBK1CDK2MARK3
SCHEMBL3384644 0.86 SYK (0.63) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3383920 0.84 TBK1 (0.77) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3385882 0.84 ULK1 (0.71) STK17ASTK17BTBK1CDK2ULK1
SCHEMBL13431953 0.83 TBK1 (0.83) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3384595 0.83 ULK1 (0.75) STK17ASTK17BTBK1CDK2ULK1
SCHEMBL3386298 0.83 TBK1 (0.62) STK17ASTK17BTBK1CDK2MARK3

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 STK17A 381/4885STK17B 595/4885TBK1 2898/4885

“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.