SCHEMBL4047028

SCHEMBL4047028

Cc1nc2sc3c(NCc4cccnc4)ncnc3c2c2c1CCC(C)(C)C2

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.74
PDE4A P27815 14/20 0.74
PDE4D Q08499 14/20 0.74
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
HIF1A Q16665 1/20 0.52
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL4046734 0.89 PDE4B (0.71) PDE4BPDE4APDE4DKDM4EHTT
SCHEMBL4046725 0.88 PDE4B (0.69) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4051903 0.87 PDE4B (0.72) PDE4BPDE4APDE4DKDM4EHTT
SCHEMBL4049306 0.87 PDE4B (0.87) PDE4BPDE4APDE4DHTT
SCHEMBL4048716 0.86 PDE4B (0.85) PDE4BPDE4APDE4D
SCHEMBL4047108 0.86 PDE4B (0.85) PDE4BPDE4APDE4D
SCHEMBL4051313 0.86 PDE4B (0.68) PDE4BPDE4APDE4DKDM4EHTT
SCHEMBL4046961 0.86 PDE4B (0.71) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5011677 0.86 PDE4B (0.75) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4052755 0.85 PDE4B (0.70) PDE4BPDE4APDE4DALDH1A1POLB

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.