SCHEMBL3387719

SCHEMBL3387719

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

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.70
CDK2 P24941 1/20 0.70
MARK3 P27448 1/20 0.70
IKBKE Q14164 1/20 0.70
BRSK2 Q8IWQ3 1/20 0.70
AURKB Q96GD4 1/20 0.70
MKNK1 Q9BUB5 1/20 0.70
SYK P43405 4/20 0.59
STAT6 P42226 11/20 0.55
LRRK2 Q5S007 1/20 0.54
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 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
SCHEMBL3389420 0.90 TBK1 (0.72) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3383966 0.90 TBK1 (0.71) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3384644 0.90 SYK (0.63) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3384251 0.89 TBK1 (0.56) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3384233 0.88 TBK1 (0.58) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3388094 0.86 TBK1 (0.75) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3387727 0.86 TBK1 (0.71) TBK1CDK2MARK3IKBKEBRSK2
Trifluoroacetic Acid SCHEMBL3387959 0.85 TBK1 (0.66) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3384158 0.85 TBK1 (0.61) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3389004 0.84 TBK1 (0.53) TBK1CDK2MARK3IKBKEBRSK2

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 2898/4885CDK2 393/4885MARK3 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.