SCHEMBL4046472

SCHEMBL4046472

CC1(C)CCc2c(N3CCOCC3)nc3sc4c(NCc5cccnc5)ncnc4c3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 1.00
PDE4A P27815 13/20 1.00
PDE4D Q08499 13/20 1.00
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 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
SCHEMBL4049306 0.93 PDE4B (0.87) PDE4BPDE4APDE4D
SCHEMBL4048716 0.92 PDE4B (0.85) PDE4BPDE4APDE4D
SCHEMBL4047108 0.92 PDE4B (0.85) PDE4BPDE4APDE4D
SCHEMBL4046439 0.91 PDE4B (1.00) PDE4BPDE4APDE4DCYP2C9CYP2C19
SCHEMBL4048652 0.89 PDE4B (0.80) PDE4BPDE4APDE4DCYP2C9CYP2C19
SCHEMBL5013032 0.88 PDE4B (1.00) PDE4BPDE4APDE4DCYP2C9CYP2C19
SCHEMBL4046616 0.88 PDE4B (0.80) PDE4BPDE4APDE4DCYP2C9CYP2C19
SCHEMBL4045985 0.87 PDE4B (0.78) PDE4BPDE4APDE4DCYP2C9CYP2C19
SCHEMBL5013129 0.86 PDE4B (0.85) PDE4BPDE4APDE4DCYP2C9CYP2C19
SCHEMBL4707022 0.86 PDE4B (1.00) PDE4BPDE4APDE4D

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.