SCHEMBL3865639

SCHEMBL3865639

COC(=O)Nc1cccc(Nc2ncc(Br)c(NCCc3c[nH]cn3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 13/20 0.54
▸ MARK3 P27448 3/20 0.54
▸ MARK4 Q96L34 3/20 0.54
▸ AURKA O14965 1/20 0.54
▸ PDPK1 O15530 5/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ STK17A Q9UEE5 2/20 0.46
▸ EGFR P00533 4/20 0.45
▸ NUAK1 O60285 1/20 0.43
▸ STK16 O75716 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ BMPR2 Q13873 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ NUAK2 Q9H093 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ BMP2K Q9NSY1 1/20 0.43
▸ 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
SCHEMBL3866798 0.92 TBK1 (0.55) TBK1MARK3MARK4AURKAPDPK1
SCHEMBL3863970 0.91 TBK1 (0.51) TBK1MARK3MARK4AURKAPDPK1
SCHEMBL13897841 0.91 CHEK1 (0.45) TBK1MARK3MARK4AURKACDK2
SCHEMBL13897845 0.90 TBK1 (0.53) TBK1MARK3MARK4AURKAPDPK1
SCHEMBL13897930 0.90 TBK1 (0.53) TBK1MARK3MARK4AURKAPDPK1
SCHEMBL13897910 0.90 TBK1 (0.55) TBK1MARK3MARK4AURKAPDPK1
SCHEMBL13897853 0.90 TBK1 (0.55) TBK1MARK3MARK4AURKAPDPK1
SCHEMBL14112812 0.90 TBK1 (0.51) TBK1MARK3MARK4AURKAPDPK1
SCHEMBL13897576 0.90 TBK1 (0.53) TBK1MARK3MARK4AURKAPDPK1
SCHEMBL13901398 0.89 TBK1 (0.43) TBK1MARK3MARK4AURKACDK2

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 10 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 claimed
EP-1565446-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-24 — — EP claimed
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 claimed
WO-2004048343-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-10 — — WO claimed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
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 452/4885MARK3 909/4885MARK4 873/4885

“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.

Send feedback