SCHEMBL4046397

SCHEMBL4046397

CCCNc1nc2sc3c(Cl)ncnc3c2c2c1CC(C)(C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.51
POLB P06746 1/20 0.50
OPRK1 P41145 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PDE4A P27815 8/20 0.47
PDE4D Q08499 8/20 0.47
KMT2A Q03164 4/20 0.43
RAD52 P43351 2/20 0.43
NSD2 O96028 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
ADRB2 P07550 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4045443 0.92 PDE4B (0.57) PDE4BPOLBOPRK1RXFP1PDE4A
SCHEMBL4049419 0.86 PDE4B (0.47) PDE4BPOLBOPRK1RXFP1PDE4A
SCHEMBL4049687 0.79 KDM4E (0.56) PDE4BPOLBRXFP1PDE4APDE4D
SCHEMBL4046399 0.77 POLB (0.51) PDE4BPOLBOPRK1RXFP1PDE4A
SCHEMBL4045515 0.77 POLB (0.52) PDE4BPOLBOPRK1RXFP1PDE4A
SCHEMBL4048665 0.76 KDM4E (0.56) PDE4BPOLBOPRK1RXFP1PDE4A
SCHEMBL4046032 0.74 PDE4B (0.67) PDE4BRXFP1PDE4APDE4DKMT2A
SCHEMBL4045956 0.73 PDE4B (0.57) PDE4BPOLBOPRK1RXFP1PDE4A
SCHEMBL4045448 0.72 POLB (0.50) PDE4BPOLBOPRK1RXFP1PDE4A
SCHEMBL4049204 0.71 POLB (0.51) PDE4BPOLBOPRK1RXFP1PDE4A

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 378/4885OPRK1 2590/4885

“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.