SCHEMBL6307463

SCHEMBL6307463

COc1ccc(C2=NN(C3CCSCC3)C(=O)C3CC=CCC23)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 1.00
PDE4B Q07343 17/20 1.00
PDE4A P27815 16/20 1.00
PDE4C Q08493 16/20 1.00
PDE7A Q13946 2/20 0.68
PDE3B Q13370 1/20 0.68
PDE3A Q14432 1/20 0.68

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
SCHEMBL6307457 1.00 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL5556835 0.91 PDE4D (0.83) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL5556838 0.91 PDE4D (0.83) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7142322 0.90 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7142325 0.90 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7142328 0.90 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7140029 0.89 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7146692 0.89 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7146693 0.89 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CPDE7A
SCHEMBL7140379 0.89 PDE4B (1.00) PDE4DPDE4BPDE4APDE4CPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846821-B2 Tetrahydrothiopy ranphthalazinone derivatives as PDE4 inhibitors ALTANA PHARMA, AG (DE) 2005-01-25 US disclosed
US-20030166655-A1 Tetrahydrothiopy ranphthalazinone derivatives as PDE4 inhibitors ALTANA PHARMA AG (DE) 2003-09-04 US disclosed
US-6544993-B1 Tetrahydrothiopyranphthalazinone derivatives as PDE4 inhibitors ALTANA PHARMA AG (DE) 2003-04-08 US disclosed
EP-0971901-B1 PHTHALAZINONES ALTANA PHARMA AG (DE) 2003-02-26 EP disclosed
EP-1244654-A1 TETRAHYDROTHIOPY RANPHTHALAZINONE DERIVATIVES AS PDE4 INHIBITORS ALTANA Pharma AG (DE) 2002-10-02 EP disclosed
WO-2001030777-A1 TETRAHYDROTHIOPY RANPHTHALAZINONE DERIVATIVES AS PDE4 INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-05-03 WO disclosed
US-6103718-A Phthalazinones BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-08-15 US 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-20030166655-A1 Tetrahydrothiopy ranphthalazinone derivatives as PDE4 inhibitors PDE4A, PDE4B, PDE3A PDE4D 8/4885PDE4B 2/4885PDE4A 1/4885

“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.