SCHEMBL3389556

SCHEMBL3389556

NC(=O)CCNc1nc(Nc2cncnc2)ncc1C1CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 19/20 0.66
CDK2 P24941 2/20 0.47
MARK3 P27448 2/20 0.47
IKBKE Q14164 2/20 0.47
BRSK2 Q8IWQ3 2/20 0.47
AURKB Q96GD4 2/20 0.47
MKNK1 Q9BUB5 2/20 0.47
PDPK1 O15530 1/20 0.46
SYK P43405 1/20 0.43

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
SCHEMBL3386204 0.88 TBK1 (0.67) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3388973 0.88 TBK1 (0.54) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3387268 0.87 TBK1 (0.52) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3389174 0.87 TBK1 (0.55) TBK1MARK3IKBKEPDPK1SYK
SCHEMBL3389484 0.87 TBK1 (0.55) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3389050 0.86 TBK1 (0.53) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3384209 0.85 TBK1 (0.55) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3385954 0.85 TBK1 (0.53) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3388278 0.84 TBK1 (0.50) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3389056 0.83 TBK1 (0.49) 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.