SCHEMBL4049422

SCHEMBL4049422

CN(Cc1ccccc1)c1nc2sc3c(Cl)ncnc3c2c2c1CC(C)(C)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.56
POLB P06746 4/20 0.44
RXFP1 Q9HBX9 2/20 0.44
OPRK1 P41145 1/20 0.44
PDE4A P27815 4/20 0.37
PDE4D Q08499 4/20 0.37
KDM4E B2RXH2 5/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
RAD52 P43351 2/20 0.36
IDE P14735 1/20 0.36
MAPK1 P28482 1/20 0.36
UBE2N P61088 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5054674 0.89 POLB (0.54) PDE4BPOLBRXFP1PDE4APDE4D
SCHEMBL4046399 0.86 POLB (0.51) PDE4BPOLBRXFP1OPRK1PDE4A
SCHEMBL4045515 0.83 POLB (0.52) PDE4BPOLBRXFP1OPRK1PDE4A
SCHEMBL4049238 0.81 KDM4E (0.50) PDE4BPOLBRXFP1KDM4EMAPK1
SCHEMBL4045448 0.78 POLB (0.50) PDE4BPOLBRXFP1OPRK1PDE4A
SCHEMBL4049419 0.78 PDE4B (0.47) PDE4BPOLBRXFP1OPRK1PDE4A
SCHEMBL4049204 0.76 POLB (0.51) PDE4BPOLBRXFP1OPRK1PDE4A
SCHEMBL4051313 0.74 PDE4B (0.68) PDE4BPOLBPDE4APDE4DKDM4E
SCHEMBL4048241 0.73 HTT (0.47) KDM4EHTTMAPTALDH1A1LMNA
SCHEMBL4046858 0.72 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 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 5/4885POLB 378/4885RXFP1 2816/4885

“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.