SCHEMBL3865571

SCHEMBL3865571

C#CCNc1nc(Nc2ccccc2C(=O)OCC)ncc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.49
GSK3B P49841 4/20 0.47
PLK1 P53350 3/20 0.47
GSK3A P49840 3/20 0.47
IGF1R P08069 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
DCLK1 O15075 1/20 0.47
CHUK O15111 1/20 0.47
PDPK1 O15530 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CHEK2 O96017 1/20 0.47
ABL1 P00519 1/20 0.47

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
SCHEMBL3865501 0.83 MAPT (0.56) PTK2GSK3BPLK1GSK3APDPK1
SCHEMBL3873737 0.82 SMN1; SMN2 (0.53) GSK3BGSK3ANTRK1CDK1FGFR1
SCHEMBL13898600 0.79 GSK3B (0.46) PTK2GSK3BPLK1GSK3AIGF1R
SCHEMBL13897663 0.78 MEN1 (0.50) PTK2GSK3BPLK1GSK3ACDK1
SCHEMBL3873336 0.74 MEN1 (0.57) GSK3BPLK1GSK3ACDK1CDK2
SCHEMBL3874663 0.73 CDC25B (0.47) IGF1RCSF1RMAPK8AURKASIRT5
SCHEMBL3869070 0.73 GSK3B (0.53) GSK3BGSK3ACDK1CDK2MAPK1
SCHEMBL5417832 0.72 STK17A (0.68) GSK3BGSK3ACDK1CDK2MAPK1
Hydrochloric Acid SCHEMBL9332738 0.71 ALDH1A1 (0.55) CDC25ACDC25BCDC25C
SCHEMBL13866475 0.71 PLK1 (0.70) PTK2GSK3BPLK1GSK3AIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1565446-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-24 EP 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 PTK2 316/4885GSK3B 336/4885PLK1 158/4885

“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.