SCHEMBL4046593

SCHEMBL4046593

CN(C)c1nc2sc3c(NCCCN4CCCC4=O)ncnc3c2c2c1CC(C)(C)C2

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.69
PDE4A P27815 12/20 0.69
PDE4D Q08499 12/20 0.69
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
RAD52 P43351 2/20 0.48
ADRB2 P07550 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NSD2 O96028 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL4051584 0.94 PDE4B (0.75) PDE4BPDE4APDE4DKMT2AMEN1
SCHEMBL4048991 0.94 PDE4B (0.66) PDE4BPDE4APDE4DKMT2AMEN1
SCHEMBL4045788 0.89 PDE4B (0.72) PDE4BPDE4APDE4DKMT2AMEN1
SCHEMBL4053613 0.87 PDE4B (0.61) PDE4BPDE4APDE4DKMT2AMEN1
SCHEMBL4045976 0.86 PDE4B (0.77) PDE4BPDE4APDE4DKMT2AMEN1
SCHEMBL4046981 0.86 PDE4B (0.77) PDE4BPDE4APDE4DKMT2AMEN1
SCHEMBL4050527 0.85 PDE4B (0.90) PDE4BPDE4APDE4DKMT2AMEN1
SCHEMBL4046379 0.85 PDE4B (0.72) PDE4BPDE4APDE4DKMT2AMEN1
SCHEMBL5286907 0.84 PDE4B (0.74) PDE4BPDE4APDE4DKMT2AMEN1
SCHEMBL4047287 0.84 PDE4B (0.89) PDE4BPDE4APDE4DKMT2ARAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP claimed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US claimed
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US disclosed
EP-1819710-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2006058724-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 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-20090029955-A1 Pyridothienopyrimidine Derivatives PNPO, PDE4A, DPYD PDE4B 5/4885PDE4A 2/4885PDE4D 15/4885

“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.