SCHEMBL4046858

SCHEMBL4046858

CN(Cc1ccccc1)c1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 1.00
PDE4A P27815 12/20 0.71
PDE4D Q08499 12/20 0.71
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL4049193 0.90 PDE4B (0.81) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5013042 0.89 PDE4B (0.81) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4046379 0.84 PDE4B (0.72) PDE4BPDE4APDE4DALDH1A1
SCHEMBL4047438 0.84 PDE4B (0.73) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4054018 0.83 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4049440 0.83 PDE4B (0.82) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4052296 0.82 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4046711 0.81 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4051313 0.81 PDE4B (0.68) PDE4BPDE4APDE4DKDM4E
SCHEMBL4047905 0.81 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.