SCHEMBL3874672

SCHEMBL3874672

CCNC(=O)Nc1cccc(Nc2ncc(CO[Si](C)(C)C(C)(C)C)c(NCCCNC(=O)O)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.46
EGFR P00533 3/20 0.45
JAK3 P52333 1/20 0.45
SIRT5 Q9NXA8 6/20 0.44
PDPK1 O15530 1/20 0.44
CDK2 P24941 1/20 0.44
ITK Q08881 2/20 0.43
ULK1 O75385 1/20 0.41
PDK1 Q15118 1/20 0.41
ULK2 Q8IYT8 1/20 0.41
BTK Q06187 1/20 0.41
MARK3 P27448 2/20 0.40
MARK4 Q96L34 2/20 0.40
STK17A Q9UEE5 2/20 0.40
SYK P43405 2/20 0.40

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
SCHEMBL3871309 0.89 TBK1 (0.38) TBK1EGFRJAK3SIRT5PDPK1
SCHEMBL3865006 0.87 TBK1 (0.49) TBK1EGFRSIRT5PDPK1CDK2
SCHEMBL6543862 0.87 EGFR (0.40) TBK1EGFRJAK3SIRT5PDPK1
SCHEMBL3869593 0.87 TBK1 (0.51) TBK1EGFRJAK3SIRT5PDPK1
SCHEMBL6452492 0.84 TBK1 (0.45) TBK1SIRT5PDPK1CDK2STK17A
SCHEMBL13897407 0.79 TBK1 (0.46) TBK1EGFRJAK3SIRT5PDPK1
SCHEMBL13897635 0.79 SIRT5 (0.48) TBK1EGFRSIRT5ITK
SCHEMBL27635330 0.76 EGFR (0.48) TBK1EGFRJAK3PDPK1CDK2
SCHEMBL3871516 0.74 TBK1 (0.41) TBK1EGFRJAK3SIRT5PDPK1
SCHEMBL3966147 0.73 EGFR (0.45) TBK1EGFRJAK3SIRT5CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
EP-1565446-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-24 EP disclosed
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 US disclosed
WO-2004048343-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-10 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-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents DCK, PDPK1, DTYMK TBK1 452/4885EGFR 747/4885JAK3 667/4885

“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.