SCHEMBL3383885

SCHEMBL3383885

Cn1ncc2ccc(Nc3ncc(C4CC4)c(NCCC(N)=O)n3)cc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 12/20 0.62
SYK P43405 3/20 0.51
ULK1 O75385 3/20 0.49
ULK2 Q8IYT8 3/20 0.49
MARK3 P27448 2/20 0.49
CDK2 P24941 1/20 0.49
IKBKE Q14164 1/20 0.49
BRSK2 Q8IWQ3 1/20 0.49
AURKB Q96GD4 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
PDPK1 O15530 1/20 0.46
EML4 Q9HC35 1/20 0.44
ALK Q9UM73 1/20 0.44
MARK4 Q96L34 1/20 0.44
STK17A Q9UEE5 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
SCHEMBL3389603 0.94 TBK1 (0.71) TBK1SYKULK1ULK2MARK3
SCHEMBL3389474 0.88 SYK (0.53) TBK1SYKULK1ULK2MARK3
SCHEMBL3388701 0.86 TBK1 (0.53) TBK1SYKULK1ULK2MARK3
SCHEMBL3383890 0.86 TBK1 (0.63) TBK1ULK1ULK2MARK3CDK2
SCHEMBL3389027 0.84 TBK1 (0.49) TBK1SYKULK1ULK2MARK3
SCHEMBL13431891 0.83 TBK1 (0.89) TBK1ULK1ULK2MARK3CDK2
SCHEMBL3389621 0.83 TBK1 (0.68) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL3385791 0.82 TBK1 (0.49) TBK1SYKULK1ULK2MARK3
SCHEMBL3386157 0.82 TBK1 (0.53) TBK1SYKULK1ULK2MARK3
SCHEMBL3385878 0.81 ULK1 (0.70) TBK1SYKULK1ULK2MARK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO 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 2898/4885SYK 627/4885ULK1 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.