SCHEMBL3873336

SCHEMBL3873336

C#CCNc1nc(Nc2ccc(O)cc2)ncc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
MCL1 Q07820 1/20 0.57
PTK2B Q14289 1/20 0.57
GSK3B P49841 5/20 0.54
STK17A Q9UEE5 1/20 0.53
CA2 P00918 1/20 0.53
AURKA O14965 9/20 0.52
GSK3A P49840 4/20 0.52
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
POLB P06746 1/20 0.45
SYK P43405 2/20 0.45

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
SCHEMBL5417832 0.89 STK17A (0.68) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL13898388 0.87 MEN1 (0.53) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL3869070 0.87 GSK3B (0.53) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL3865501 0.84 MAPT (0.56) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL13897663 0.82 MEN1 (0.50) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL4022058 0.80 CDK1 (0.77) GSK3BSTK17ACA2AURKACDK1
SCHEMBL13648557 0.80 AURKA (0.68) CA2AURKACDK1CCNB1CCNE1
SCHEMBL13648562 0.80 AURKA (0.68) STK17ACA2AURKACDK1CCNB1
SCHEMBL1917436 0.79 STK17A (0.64) MEN1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL1917142 0.78 STK17A (0.68) MEN1CYP1A2CYP3A4MAPTCYP2C9

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 8 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
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 MEN1 4334/4885CYP1A2 2924/4885CYP3A4 3048/4885

“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.