SCHEMBL3873384

SCHEMBL3873384

NS(=O)(=O)c1ccc(Nc2ncc(Br)c(NCCN3CCCC3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.62
CA1 P00915 2/20 0.57
CA9 Q16790 2/20 0.57
CDK1 P06493 6/20 0.55
KDR P35968 5/20 0.55
CDK2 P24941 5/20 0.55
CDK9 P50750 3/20 0.55
CDK4 P11802 2/20 0.55
CDK7 P50613 2/20 0.55
CCNT1 O60563 2/20 0.55
CCND1 P24385 1/20 0.55
CCNH P51946 1/20 0.55
PTK2 Q05397 2/20 0.55
NUAK1 O60285 2/20 0.54
STK16 O75716 2/20 0.54
NTRK1 P04629 2/20 0.54
CSNK2A2 P19784 2/20 0.54
TYK2 P29597 2/20 0.54
AAK1 Q2M2I8 2/20 0.54
BMP2K Q9NSY1 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
SCHEMBL4062164 0.91 NTRK1 (0.63) CA2CA1CA9CDK1KDR
SCHEMBL4065851 0.85 SYK (0.55) CA2CA1CA9CDK1KDR
SCHEMBL13898290 0.84 IGF1R (0.57) CDK1KDRCDK2NUAK1STK16
SCHEMBL4058944 0.83 CA2 (0.57) CA2CA1CA9CDK1KDR
SCHEMBL13898374 0.83 IGF1R (0.58) CDK1KDRCDK2NUAK1STK16
SCHEMBL4061169 0.82 CA2 (0.70) CA2CA1CA9CDK1KDR
SCHEMBL4063568 0.82 CA2 (0.58) CA2CDK1KDRCDK2CDK9
SCHEMBL3873057 0.82 CA2 (0.60) CA2CA1CA9CDK1KDR
SCHEMBL3873050 0.81 STK17A (0.73) CA2CA1CA9CDK1KDR
SCHEMBL3865620 0.81 STK17A (0.68) CA2CA1CA9CDK1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1717396-A Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2006-01-04 CN 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
CN-1717396-A Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2006-01-04 CN 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 CA2 3940/4885CA1 4875/4885CA9 3699/4885

“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.