SCHEMBL4046356

SCHEMBL4046356

CC1(C)CCc2c(N3CCOCC3)nc3sc4c(NCCCN5CCCC5=O)ncnc4c3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 1.00
PDE4A P27815 10/20 1.00
PDE4D Q08499 10/20 1.00
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
ADRB2 P07550 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL4050527 0.95 PDE4B (0.90) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4047287 0.94 PDE4B (0.89) PDE4BPDE4APDE4DADRB2HTT
SCHEMBL4049199 0.92 PDE4B (0.85) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5013060 0.89 PDE4B (1.00) PDE4BPDE4APDE4DADRB2HTT
SCHEMBL4048324 0.89 PDE4B (0.81) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4045976 0.87 PDE4B (0.77) PDE4BPDE4APDE4DALDH1A1
SCHEMBL4046981 0.87 PDE4B (0.77) PDE4BPDE4APDE4DALDH1A1
SCHEMBL5471242 0.87 PDE4B (0.76) PDE4BPDE4APDE4DADRB2HTT
SCHEMBL4051584 0.86 PDE4B (0.75) PDE4BPDE4APDE4DALDH1A1ADRB2
SCHEMBL4052296 0.86 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 4 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

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.