SCHEMBL3385954

SCHEMBL3385954

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 14/20 0.53
PDPK1 O15530 1/20 0.53
CDK2 P24941 2/20 0.49
MARK3 P27448 2/20 0.49
IKBKE Q14164 2/20 0.49
BRSK2 Q8IWQ3 2/20 0.49
AURKB Q96GD4 2/20 0.49
MKNK1 Q9BUB5 2/20 0.49
SYK P43405 1/20 0.48
STK17A Q9UEE5 2/20 0.47
STK17B O94768 1/20 0.47
ULK1 O75385 2/20 0.47
ULK2 Q8IYT8 2/20 0.47
CHEK1 O14757 1/20 0.44

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
SCHEMBL3384209 0.89 TBK1 (0.55) TBK1PDPK1CDK2MARK3IKBKE
SCHEMBL3389484 0.89 TBK1 (0.55) TBK1PDPK1CDK2MARK3IKBKE
SCHEMBL3386157 0.89 TBK1 (0.53) TBK1PDPK1CDK2MARK3IKBKE
SCHEMBL3388278 0.88 TBK1 (0.50) TBK1PDPK1CDK2MARK3IKBKE
SCHEMBL3388973 0.88 TBK1 (0.54) TBK1PDPK1CDK2MARK3IKBKE
SCHEMBL3383879 0.88 TBK1 (0.69) TBK1PDPK1MARK3IKBKESYK
SCHEMBL3388861 0.88 TBK1 (0.49) TBK1PDPK1CDK2MARK3IKBKE
SCHEMBL3386139 0.88 TBK1 (0.49) TBK1PDPK1CDK2MARK3IKBKE
SCHEMBL3386056 0.88 TBK1 (0.54) TBK1PDPK1CDK2MARK3IKBKE
SCHEMBL3389056 0.88 TBK1 (0.49) TBK1PDPK1CDK2MARK3IKBKE

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 2468/4885CDK2 393/4885

“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.