SCHEMBL5557664

SCHEMBL5557664

COc1ccc(C2=NN(C3CCSCC3)C(=O)[C@@H]3CC=CC[C@H]23)c2c1OC(C)(C)C2

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.84
PDE4D Q08499 17/20 0.84
PDE4A P27815 16/20 0.84
PDE4C Q08493 16/20 0.84
PDE7A Q13946 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL5557668 1.00 PDE4B (0.84) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL6876779 0.91 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL6876771 0.91 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL6876774 0.91 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL6453683 0.90 PDE4B (0.84) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL6453687 0.90 PDE4B (0.84) PDE4BPDE4DPDE4APDE4CPDE7A
Hydrochloric Acid SCHEMBL4015395 0.89 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CPDE7A
Hydrochloric Acid SCHEMBL4015397 0.89 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CPDE7A
Hydrochloric Acid SCHEMBL4015390 0.89 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CPDE7A
SCHEMBL6244831 0.86 PDE4D (0.79) PDE4BPDE4DPDE4APDE4C

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US claimed
EP-2804603-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2014-11-26 EP claimed
WO-2013106547-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-18 WO claimed
EP-1587512-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA Pharma AG (DE) 2005-10-26 EP claimed
US-20050112069-A1 Pharmaceutical composition of a pde4 or pde 3/4 inhibitor and histamine receptor antagonist NYCOMED GMBH (DE) 2005-05-26 US claimed
US-6846821-B2 Tetrahydrothiopy ranphthalazinone derivatives as PDE4 inhibitors ALTANA PHARMA, AG (DE) 2005-01-25 US claimed
EP-1482938-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA Pharma AG (DE) 2004-12-08 EP claimed
WO-2004062671-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA PHARMA AG (DE) 2004-07-29 WO claimed
WO-2003074055-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-09-12 WO claimed
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US disclosed
EP-2804603-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2014-11-26 EP disclosed
WO-2013106547-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-18 WO disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
US-20060148804-A1 Pde4 inhibitors for the treatment of neoplasms of lymphoid cells NYCOMED GMBH (DE) 2006-07-06 US disclosed
EP-1482938-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA Pharma AG (DE) 2004-12-08 EP disclosed
WO-2003074055-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-09-12 WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20060148804-A1 Pde4 inhibitors for the treatment of neoplasms of lymphoid cells PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 4/4885PDE4A 1/4885
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE IAPP, GPR119, PCNA PDE4B 1204/4885PDE4D 1307/4885PDE4A 1173/4885
US-20030166655-A1 Tetrahydrothiopy ranphthalazinone derivatives as PDE4 inhibitors PDE4A, PDE4B, PDE3A PDE4B 2/4885PDE4D 8/4885PDE4A 1/4885
US-20050112069-A1 Pharmaceutical composition of a pde4 or pde 3/4 inhibitor and histamine receptor antagonist HRH4, PDE4A, PDE4B PDE4B 3/4885PDE4D 9/4885PDE4A 2/4885

“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.