SCHEMBL3387550

SCHEMBL3387550

NC(=O)CCNc1nc(Nc2cnn(CC3CC3)c2)ncc1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.56
JAK3 P52333 12/20 0.54
JAK2 O60674 9/20 0.54
JAK1 P23458 7/20 0.54
CDK2 P24941 1/20 0.52
MARK3 P27448 1/20 0.52
IKBKE Q14164 1/20 0.52
BRSK2 Q8IWQ3 1/20 0.52
AURKB Q96GD4 1/20 0.52
MKNK1 Q9BUB5 1/20 0.52

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
SCHEMBL3389621 0.86 TBK1 (0.68) TBK1JAK3JAK2JAK1CDK2
SCHEMBL3387555 0.85 TBK1 (0.56) TBK1JAK3JAK2JAK1CDK2
SCHEMBL3389142 0.85 TBK1 (0.64) TBK1JAK3JAK2JAK1CDK2
SCHEMBL3388250 0.84 TBK1 (0.72) TBK1JAK3JAK2JAK1CDK2
SCHEMBL3389536 0.83 ULK1 (0.45) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3384939 0.83 TBK1 (0.70) TBK1JAK3JAK2JAK1CDK2
SCHEMBL13431968 0.82 TBK1 (0.83) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3389484 0.82 TBK1 (0.55) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3388973 0.81 TBK1 (0.54) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3388300 0.81 TBK1 (0.71) TBK1JAK3JAK2JAK1CDK2

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 2898/4885JAK3 372/4885JAK2 142/4885

“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.