SCHEMBL4045448

SCHEMBL4045448

CCN(C)c1nc2sc3c(Cl)ncnc3c2c2c1CCC(C)(C)C2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
OPRK1 P41145 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PDE4B Q07343 17/20 0.49
PDE4A P27815 14/20 0.44
PDE4D Q08499 14/20 0.44
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL4046399 0.92 POLB (0.51) POLBOPRK1RXFP1PDE4BPDE4A
SCHEMBL4049204 0.90 POLB (0.51) POLBOPRK1RXFP1PDE4BPDE4A
SCHEMBL4045956 0.82 PDE4B (0.57) POLBOPRK1RXFP1PDE4BPDE4A
SCHEMBL4045515 0.81 POLB (0.52) POLBOPRK1RXFP1PDE4BPDE4A
SCHEMBL4049402 0.80 PDE4B (0.67) POLBPDE4BPDE4APDE4D
SCHEMBL4045443 0.79 PDE4B (0.57) POLBOPRK1RXFP1PDE4BPDE4A
SCHEMBL4046251 0.79 PDE4B (0.61) POLBOPRK1RXFP1PDE4BPDE4A
SCHEMBL4049422 0.78 PDE4B (0.56) POLBOPRK1RXFP1PDE4BPDE4A
SCHEMBL4047423 0.78 PDE4B (0.58) POLBPDE4BPDE4APDE4DKDM4E
SCHEMBL4045473 0.78 POLB (0.47) POLBOPRK1RXFP1PDE4BPDE4A

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 POLB 378/4885OPRK1 2590/4885RXFP1 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.