SCHEMBL4046180

SCHEMBL4046180

CC1(C)CCc2c(N3CCOCC3)nc3sc4c(N(CCO)Cc5cccnc5)ncnc4c3c2C1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.73
PDE4A P27815 12/20 0.73
PDE4D Q08499 12/20 0.73
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
HIF1A Q16665 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KMT2A Q03164 2/20 0.55
HPGD P15428 1/20 0.52
ABL1 P00519 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RIN1 Q13671 1/20 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
SCHEMBL4047460 0.84 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4046387 0.84 PDE4B (0.81) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5014740 0.82 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4046472 0.82 PDE4B (1.00) PDE4BPDE4APDE4DNPSR1CYP2C9
SCHEMBL4045528 0.82 PDE4B (0.94) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5011403 0.81 PDE4B (0.78) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4048347 0.78 PDE4B (0.88) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4049405 0.78 PDE4B (0.70) PDE4BPDE4APDE4DHPGD
SCHEMBL15077977 0.77 KDM4E (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5012465 0.77 PDE4B (0.91) 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 8 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-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP claimed
WO-2006058724-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 WO 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.