SCHEMBL6317823

SCHEMBL6317823

CCOC(=O)c1sc(Nc2nc(NCc3cccnc3)c3ncn(Cc4ccc(S(C)(=O)=O)cc4)c3n2)nc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.76
PDE3A Q14432 4/20 0.76
PDE2A O00408 2/20 0.55
PDE5A O76074 3/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CDK2 P24941 10/20 0.42
CDK9 P50750 4/20 0.42
TP53 P04637 1/20 0.42
CDK1 P06493 8/20 0.40
CDK4 P11802 8/20 0.40
CDK7 P50613 8/20 0.40
CCNE1 P24864 7/20 0.40
CCNH P51946 7/20 0.40
MAPK1 P28482 7/20 0.40
CCNB1 P14635 6/20 0.40
CCND1 P24385 6/20 0.40
CCNT1 O60563 2/20 0.40
MNAT1 P51948 1/20 0.40
CDK6 Q00534 1/20 0.40

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
SCHEMBL6317366 0.92 PDE3B (0.86) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6318240 0.92 PDE3B (0.80) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6325129 0.89 PDE3B (0.77) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6318174 0.87 PDE3B (1.00) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6324594 0.86 PDE3B (0.81) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6322999 0.85 PDE3B (0.80) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6322830 0.85 PDE3B (0.75) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6316446 0.84 PDE3B (0.74) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6317786 0.84 PDE3B (0.78) PDE3BPDE3APDE2APDE5AKDM4E
SCHEMBL6317158 0.84 PDE3B (0.73) PDE3BPDE3APDE2APDE5AKDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US claimed
US-6887881-B1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2005-05-03 US disclosed
US-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2005-01-06 US disclosed
US-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192156-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
EP-1192155-B1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-04-02 EP disclosed
US-6465481-B1 EXHIBIT ELECTROPHYSIOLOGICAL ACTIVITY; MAY BE MORE POTENT AND PRODUCE FEWER SIDE EFFECTS INCLUDING LOWER INCIDENCE OF PROARRHYTHMIAS SUCH AS TORSADES DE POINTES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
EP-1192154-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed
WO-2000076999-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 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 (3 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E PDE3B 605/4885PDE3A 425/4885PDE2A 643/4885
US-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D PDE3B 789/4885PDE3A 567/4885PDE2A 767/4885
US-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias DRD2, ADRA1D, KCND2 PDE3B 505/4885PDE3A 483/4885PDE2A 584/4885

“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.