SCHEMBL3873712

SCHEMBL3873712

NS(=O)(=O)c1cccc(Nc2ncc(Br)c(NCCc3c[nH]cn3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.54
NTRK1 P04629 5/20 0.54
PTK2 Q05397 4/20 0.54
TYK2 P29597 4/20 0.54
AURKA O14965 4/20 0.54
MARK3 P27448 4/20 0.54
CDK1 P06493 4/20 0.54
CDK2 P24941 4/20 0.54
MKNK2 Q9HBH9 3/20 0.54
FLT3 P36888 3/20 0.54
CDK5 Q00535 3/20 0.54
DCLK1 O15075 3/20 0.54
AURKB Q96GD4 3/20 0.54
STK17A Q9UEE5 3/20 0.54
KDR P35968 3/20 0.54
CDC7 O00311 2/20 0.54
PLK4 O00444 2/20 0.54
CHEK1 O14757 2/20 0.54
PDPK1 O15530 2/20 0.54
DAPK3 O43293 2/20 0.54

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
SCHEMBL14112812 0.90 TBK1 (0.51) AURKAMARK3CDK1CDK2STK17A
SCHEMBL3867648 0.87 IGF1R (0.52) JAK3NTRK1PTK2TYK2AURKA
SCHEMBL3869308 0.87 TBK1 (0.47) JAK3PTK2AURKAMARK3CDK1
SCHEMBL13897771 0.86 MARK3 (0.51) NTRK1PTK2TYK2AURKAMARK3
SCHEMBL3866461 0.85 AURKA (0.47) AURKAMARK3CDK1CDK2STK17A
SCHEMBL6543152 0.85 SYK (0.61) AURKAMARK3CDK1CDK2STK17A
SCHEMBL3958041 0.85 CDK19 (0.57) NTRK1AURKAMARK3CDK2STK17A
SCHEMBL13897853 0.85 TBK1 (0.55) NTRK1TYK2AURKAMARK3CDK2
SCHEMBL13897933 0.84 TBK1 (0.49) NTRK1AURKAMARK3STK17APDPK1
SCHEMBL3865569 0.84 PTK2 (0.51) JAK3NTRK1PTK2TYK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 JAK3 667/4885NTRK1 886/4885PTK2 316/4885

“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.