SCHEMBL3871776

SCHEMBL3871776

NS(=O)(=O)c1ccc(Nc2ncc(I)c(NCCc3c[nH]cn3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.47
CDK1 P06493 5/20 0.46
CDK2 P24941 4/20 0.46
CDK7 P50613 3/20 0.46
CDK9 P50750 3/20 0.46
CCNT1 O60563 2/20 0.46
CCNH P51946 2/20 0.46
CCNB1 P14635 2/20 0.46
KDR P35968 3/20 0.46
CDK4 P11802 2/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 2/20 0.45
PTK2 Q05397 3/20 0.44
NTRK1 P04629 1/20 0.42
CA1 P00915 5/20 0.42
CA9 Q16790 5/20 0.42
IGF1R P08069 1/20 0.42
SYK P43405 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL6542742 0.88 STK17A (0.50) CA2CDK1CDK2CDK7CDK9
SCHEMBL3869125 0.87 CA2 (0.48) CA2CDK1CDK2CDK7CDK9
SCHEMBL3873390 0.86 PTK2 (0.58) CA2CDK1CDK2CDK7CDK9
SCHEMBL6542446 0.81 MRGPRX1 (0.53) CA2CDK2KDRCDK4CCNE1
SCHEMBL3873712 0.79 JAK3 (0.54) CA2CDK1CDK2CDK7CDK9
SCHEMBL13897651 0.76 STK17A (0.51) CA2CDK1CDK2CDK7CDK9
SCHEMBL4068157 0.76 CA2 (0.78) CA2CDK1CDK2CDK7CDK9
SCHEMBL13897454 0.75 STK17A (0.52) CA2CDK1CDK2CCNB1KDR
SCHEMBL3282417 0.74 STK17A (0.66) AURKA
SCHEMBL13897608 0.74 STK17B (0.47) CA2CDK1CDK2CDK7CDK9

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 CA2 3940/4885CDK1 237/4885CDK2 105/4885

“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.