SCHEMBL2039633

SCHEMBL2039633

CCOc1cc(C2CSCCC2=O)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.50
PDE4B Q07343 4/20 0.41
DYRK1A Q13627 1/20 0.41
PDE3A Q14432 1/20 0.41
TP53 P04637 1/20 0.41
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
IGF1R P08069 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 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
SCHEMBL2039336 0.90 GFER (0.46) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL18424206 0.87 PDE4A (0.42) PDE4APDE4BTP53PDE4CPDE4D
SCHEMBL1822961 0.78 PDE4A (0.50) PDE4APDE4BTP53PDE4CPDE4D
SCHEMBL8270926 0.77 PDE4A (0.49) PDE4APDE4BTP53PDE4CPDE4D
SCHEMBL2041759 0.77 PDE4A (0.49) PDE4APDE4BTP53PDE4CPDE4D
SCHEMBL7209583 0.73 ALDH1A1 (0.54) PDE4ATP53ALDH1A1MAPTKDM4E
SCHEMBL4175131 0.72 KDM1A (0.47) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL2039686 0.72 KDM1A (0.46) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL9778850 0.70 TSHR (0.57) PDE4APDE4BTP53PDE4CPDE4D
SCHEMBL29613171 0.70 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513119-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES Nycomed GmbH (DE) 2012-10-24 EP claimed
WO-2011073231-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES NYCOMED GMBH (DE) 2011-06-23 WO claimed
EP-2813509-B1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives ASTRAZENECA AB (SE) 2017-02-01 EP disclosed
EP-2721036-B1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS TAKEDA GMBH (DE) 2015-07-22 EP disclosed
US-9018175-B2 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives TAKEDA GMBH (DE) 2015-04-28 US disclosed
EP-2813509-A1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives Takeda GmbH (DE) 2014-12-17 EP disclosed
EP-2513119-B1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES TAKEDA GMBH (DE) 2014-06-25 EP disclosed
US-20140113877-A1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C] ISOQUINOLINE COMPOUNDS TAKEDA GMBH (DE) 2014-04-24 US disclosed
EP-2721036-A1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS Takeda GmbH (DE) 2014-04-23 EP disclosed
WO-2012171903-A1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS NYCOMED GMBH (DE) 2012-12-20 WO disclosed
US-8324404-B2 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2012-12-04 US disclosed
US-7589205-B2 phosphodiesterase inhibitor; antiinflammatory agent; 3-thia-10-aza-phenanthrenes and iintermediates 3-(3,4-dialkoxy-phenyl)-tetrahydro-thiopyran-4-one and 3-(3,4-dialkoxy-phenyl)-1,1-dioxo-hexahydro-1-thiopyran-4-ylamine, useful for its preparation NYCOMED GMBH (DE) 2009-09-15 US disclosed
US-7589205-B2 phosphodiesterase inhibitor; antiinflammatory agent; 3-thia-10-aza-phenanthrenes and iintermediates 3-(3,4-dialkoxy-phenyl)-tetrahydro-thiopyran-4-one and 3-(3,4-dialkoxy-phenyl)-1,1-dioxo-hexahydro-1-thiopyran-4-ylamine, useful for its preparation NYCOMED GMBH (DE) 2009-09-15 US disclosed
US-7589205-B2 phosphodiesterase inhibitor; antiinflammatory agent; 3-thia-10-aza-phenanthrenes and iintermediates 3-(3,4-dialkoxy-phenyl)-tetrahydro-thiopyran-4-one and 3-(3,4-dialkoxy-phenyl)-1,1-dioxo-hexahydro-1-thiopyran-4-ylamine, useful for its preparation NYCOMED GMBH (DE) 2009-09-15 US disclosed
US-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives ATLANA PHARMA AG (DE) 2008-05-01 US disclosed
US-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives ATLANA PHARMA AG (DE) 2008-05-01 US disclosed
US-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives ATLANA PHARMA AG (DE) 2008-05-01 US disclosed
EP-1791847-A2 NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES Altana Pharma AG (DE) 2007-06-06 EP disclosed
WO-2006027345-A2 NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES ALTANA PHARMA AG (DE) 2006-03-16 WO disclosed
WO-2006027345-A2 NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES ALTANA PHARMA AG (DE) 2006-03-16 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 (2 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-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4B 2/4885DYRK1A 2313/4885
US-20140113877-A1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C] ISOQUINOLINE COMPOUNDS PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885DYRK1A 3858/4885

“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.