SCHEMBL3826401

SCHEMBL3826401

CCCn1c(=O)n(C)c(=O)c2c(C(=O)OC)c(C)sc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.39
ADORA2A P29274 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC16A1 P53985 1/20 0.36
HIF1A Q16665 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3829619 0.91 ADORA2B (0.45) ADORA2BALDH1A1TSHRKDM4EADORA2A
SCHEMBL3826819 0.85 SLC16A1 (0.49) ALDH1A1LMNAABCB11CYP3A4CYP2C9
SCHEMBL3833867 0.84 ALDH1A1 (0.39) ADORA2BALDH1A1TSHRKDM4EADORA2A
SCHEMBL3829185 0.78 SLC16A1 (0.41) ADORA2BALDH1A1TSHRKDM4EADORA2A
SCHEMBL5100072 0.78 SLC16A1 (0.53) ADORA2BALDH1A1TSHRKDM4EADORA2A
SCHEMBL4808957 0.77 CYP2C9 (0.62) ADORA2BALDH1A1TSHRKDM4EADORA2A
SCHEMBL3829617 0.75 ALDH1A1 (0.38) ADORA2BALDH1A1TSHRKDM4EADORA2A
SCHEMBL10292857 0.74 SLC16A1 (0.49) ABCB11CYP3A4CYP2C9SLC16A1
SCHEMBL14845839 0.73 SLC16A1 (0.50) ABCB11CYP3A4CYP2C9SLC16A1
SCHEMBL3833119 0.72 KDM4E (0.36) ALDH1A1KDM4ETDP1LMNAABCB11

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 11 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-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 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-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-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP 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
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 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-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 ADORA2B 91/4885ALDH1A1 463/4885TSHR 281/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 ADORA2B 1184/4885ALDH1A1 401/4885TSHR 1931/4885
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 ADORA2B 240/4885ALDH1A1 84/4885TSHR 293/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 ADORA2B 201/4885ALDH1A1 242/4885TSHR 178/4885

“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.