SCHEMBL3385791

SCHEMBL3385791

NC(=O)CCNc1nc(Nc2ccc3cnccc3c2)ncc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 15/20 0.49
PDPK1 O15530 1/20 0.47
ULK1 O75385 4/20 0.46
ULK2 Q8IYT8 4/20 0.46
MARK3 P27448 2/20 0.44
MARK4 Q96L34 1/20 0.44
STK17A Q9UEE5 1/20 0.44
CDK2 P24941 1/20 0.44
IKBKE Q14164 1/20 0.44
BRSK2 Q8IWQ3 1/20 0.44
AURKB Q96GD4 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
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
SCHEMBL3388973 0.88 TBK1 (0.54) TBK1PDPK1ULK1ULK2MARK3
SCHEMBL3387324 0.85 SYK (0.56) TBK1PDPK1ULK1ULK2MARK3
SCHEMBL3385798 0.85 STK17A (0.51) TBK1PDPK1STK17A
SCHEMBL3386157 0.84 TBK1 (0.53) TBK1PDPK1ULK1ULK2MARK3
SCHEMBL3388284 0.84 TBK1 (0.54) TBK1PDPK1ULK1ULK2MARK3
SCHEMBL3386204 0.84 TBK1 (0.67) TBK1PDPK1ULK1ULK2MARK3
SCHEMBL3386107 0.83 TBK1 (0.56) TBK1PDPK1ULK1ULK2MARK3
SCHEMBL3388259 0.83 SYK (0.58) TBK1PDPK1ULK1ULK2STK17A
SCHEMBL3387306 0.83 SYK (0.58) TBK1PDPK1ULK1ULK2SYK
SCHEMBL3386251 0.83 TBK1 (0.50) TBK1PDPK1ULK1ULK2MARK3

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 2898/4885PDPK1 2468/4885ULK1 2369/4885

“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.