SCHEMBL4045473

SCHEMBL4045473

CCOc1ncnc2c1sc1nc(N(C)C)c3c(c12)CC(C)(C)CC3

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
PDE4B Q07343 15/20 0.46
PDE4A P27815 12/20 0.43
PDE4D Q08499 12/20 0.43
ALDH1A1 P00352 2/20 0.40
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4049204 0.83 POLB (0.51) POLBRXFP1PDE4BPDE4APDE4D
SCHEMBL4045448 0.78 POLB (0.50) POLBRXFP1MAPTPDE4BPDE4A
SCHEMBL4045560 0.77 PDE4B (0.56) MAPTMAPK1PDE4BPDE4APDE4D
SCHEMBL4053743 0.75 PDE4B (0.52) MAPTMAPK1PDE4BPDE4APDE4D
SCHEMBL4050675 0.74 PDE4B (0.61) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4045515 0.74 POLB (0.52) POLBRXFP1MAPTPDE4BPDE4A
SCHEMBL4046734 0.74 PDE4B (0.71) POLBPDE4BPDE4APDE4DKDM4E
SCHEMBL4049077 0.73 PDE4B (0.63) POLBRXFP1MAPTPDE4BPDE4A
SCHEMBL4051584 0.72 PDE4B (0.75) RXFP1PDE4BPDE4APDE4DALDH1A1
SCHEMBL4051950 0.71 PDE4B (0.65) PDE4BPDE4APDE4DALDH1A1KDM4E

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 POLB 378/4885RXFP1 2816/4885MAPT 2618/4885

“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.