SCHEMBL3829619

SCHEMBL3829619

CCn1c(=O)n(C)c(=O)c2c(C(=O)OC)c(C)sc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.45
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.38
ABCB11 O95342 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC16A1 P53985 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
POLB P06746 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL3826401 0.91 ADORA2B (0.44) ADORA2BALDH1A1KDM4ETSHRABCB11
SCHEMBL3826819 0.86 SLC16A1 (0.49) ALDH1A1ABCB11CYP3A4CYP2C9SLC16A1
SCHEMBL3829617 0.84 ALDH1A1 (0.38) ADORA2BALDH1A1KDM4ETSHRABCB11
SCHEMBL3829185 0.79 SLC16A1 (0.41) ADORA2BALDH1A1KDM4ETSHRABCB11
SCHEMBL3831618 0.77 CYP2C9 (0.63) ADORA2BALDH1A1KDM4ETSHRABCB11
SCHEMBL3833867 0.75 ALDH1A1 (0.39) ADORA2BALDH1A1KDM4ETSHRABCB11
SCHEMBL14845839 0.74 SLC16A1 (0.50) ABCB11CYP3A4CYP2C9SLC16A1
SCHEMBL3830266 0.73 CYP2C9 (0.42) KDM4ETSHRCYP3A4CYP2C9SLC16A1
SCHEMBL10292857 0.72 SLC16A1 (0.49) ABCB11CYP3A4CYP2C9SLC16A1
SCHEMBL5430644 0.71 ADORA2B (0.48) ADORA2BLMNAHPGDADORA2AADORA1

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 5 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-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 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 (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-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 ADORA2B 240/4885ALDH1A1 84/4885KDM4E 1355/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 ADORA2B 201/4885ALDH1A1 242/4885KDM4E 2081/4885

“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.