SCHEMBL3388997

SCHEMBL3388997

CN1CCN(CCOc2ccc(Nc3ncc(C4CC4)c(NCCC(N)=O)n3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 12/20 0.49
ULK1 O75385 3/20 0.47
ULK2 Q8IYT8 3/20 0.47
SYK P43405 2/20 0.43
CDK2 P24941 2/20 0.43
MARK3 P27448 2/20 0.43
IKBKE Q14164 2/20 0.43
BRSK2 Q8IWQ3 2/20 0.43
AURKB Q96GD4 2/20 0.43
MKNK1 Q9BUB5 2/20 0.43
EGFR P00533 1/20 0.41
STAT6 P42226 1/20 0.41
MAP3K7 O43318 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K1 Q02750 1/20 0.40

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
SCHEMBL3386117 0.91 TBK1 (0.52) TBK1ULK1ULK2SYKCDK2
SCHEMBL3389009 0.88 TBK1 (0.49) TBK1ULK1ULK2CDK2MARK3
SCHEMBL3386009 0.87 TBK1 (0.52) TBK1ULK1ULK2SYKCDK2
SCHEMBL3386277 0.86 TBK1 (0.61) TBK1ULK1ULK2SYKCDK2
SCHEMBL13431961 0.85 TBK1 (0.71) TBK1ULK1ULK2CDK2MARK3
SCHEMBL3389438 0.84 TBK1 (0.58) TBK1ULK1ULK2SYKCDK2
SCHEMBL3384644 0.82 SYK (0.63) TBK1ULK1ULK2SYKCDK2
SCHEMBL3385828 0.81 TBK1 (0.70) TBK1ULK1ULK2SYKCDK2
SCHEMBL3383911 0.81 TBK1 (0.71) TBK1ULK1ULK2SYKCDK2
SCHEMBL3386056 0.80 TBK1 (0.54) TBK1ULK1ULK2SYKCDK2

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 2898/4885ULK1 2369/4885ULK2 1695/4885

“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.