SCHEMBL3384233

SCHEMBL3384233

NC(=O)CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)ncc1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.58
MARK3 P27448 2/20 0.56
IKBKE Q14164 2/20 0.56
CDK2 P24941 1/20 0.56
BRSK2 Q8IWQ3 1/20 0.56
AURKB Q96GD4 1/20 0.56
MKNK1 Q9BUB5 1/20 0.56
LRRK2 Q5S007 5/20 0.55
JAK2 O60674 1/20 0.55
SYK P43405 3/20 0.51
NTRK1 P04629 1/20 0.51
ULK1 O75385 2/20 0.49
ULK2 Q8IYT8 2/20 0.49
NUAK1 O60285 1/20 0.48
PRKAA2 P54646 1/20 0.48
SIK1 P57059 1/20 0.48
PRKAA1 Q13131 1/20 0.48
MELK Q14680 1/20 0.48
PDK1 Q15118 1/20 0.48
MARK2 Q7KZI7 1/20 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
SCHEMBL3388281 0.90 MAP3K7 (0.56) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL3384244 0.90 TBK1 (0.62) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL3383911 0.90 TBK1 (0.71) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL3387719 0.88 TBK1 (0.70) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL3383966 0.84 TBK1 (0.71) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL13431936 0.83 TBK1 (0.83) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL3384251 0.83 TBK1 (0.56) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL3384158 0.83 TBK1 (0.61) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL3385940 0.82 MAP3K7 (0.65) TBK1MARK3IKBKECDK2NTRK1
SCHEMBL3389004 0.81 TBK1 (0.53) TBK1MARK3IKBKECDK2BRSK2

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 2898/4885MARK3 1239/4885IKBKE 1433/4885

“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.