SCHEMBL3833080

SCHEMBL3833080

CCOC(=O)c1csc2c1c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
STAT3 P40763 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ABCB11 O95342 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC16A1 P53985 1/20 0.40
TNF P01375 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4804328 0.88 ADORA2B (0.43) SMN1; SMN2MAPK1MAPTTSHRSTAT3
SCHEMBL3831387 0.87 ALDH1A1 (0.40) SMN1; SMN2MAPK1MAPTTSHRLMNA
SCHEMBL3829773 0.85 SLC16A1 (0.39) SMN1; SMN2MAPK1LMNAALDH1A1ABCB11
SCHEMBL7008610 0.84 PDE1A (0.41) SMN1; SMN2MAPK1TSHRSTAT3LMNA
SCHEMBL4805021 0.84 ADORA2B (0.46) MAPK1TSHRLMNAALDH1A1HTT
SCHEMBL3871578 0.83 KDM4E (0.39) MAPK1TSHRLMNAALDH1A1SLC16A1
SCHEMBL4801047 0.83 ALDH1A1 (0.40) SMN1; SMN2MAPK1MAPTLMNAALDH1A1
SCHEMBL4803164 0.80 SLC16A1 (0.53) SMN1; SMN2MAPK1TSHRLMNAALDH1A1
SCHEMBL7007619 0.78 SLC16A1 (0.51) ALDH1A1CYP3A4CYP2C9SLC16A1MEN1
SCHEMBL6726548 0.76 PDE1A (0.45) MAPK1TSHRLMNAALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080153855-A1 Thieno[2,3-d]pyrimidinedione derivatives; antiproliferative agents against T-cells; chronic obstructive pulmonary disease, asthma; immunosuppressants, antihistamines, bronchodilator agents, and anticarcinogenic agents ASTRAZENECA AB, A SWEDEN CORPORATION 2008-06-26 US disclosed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-7384951-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-7361660-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-04-22 US disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
EP-1587812-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2006-08-09 EP disclosed
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2006-03-09 US disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 US disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 US disclosed
EP-1412362-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2004-04-28 EP disclosed
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 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 (5 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-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE TPMT, TYMP, TYMS SMN1; SMN2 3015/4885MAPK1 2437/4885MAPT 3966/4885
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease C5, HRH4, CYP2S1 SMN1; SMN2 3310/4885MAPK1 3012/4885MAPT 4836/4885
US-20080153855-A1 Thieno[2,3-d]pyrimidinedione derivatives; antiproliferative agents against T-cells; chronic obstructive pulmonary disease, asthma; immunosuppressants, antihistamines, bronchodilator agents, and anticarcinogenic agents HRH4, HRH2, HRH3 SMN1; SMN2 4492/4885MAPK1 2232/4885MAPT 4772/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 SMN1; SMN2 3624/4885MAPK1 2613/4885MAPT 4392/4885
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 SMN1; SMN2 3203/4885MAPK1 2559/4885MAPT 4709/4885

“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.