SCHEMBL3829617

SCHEMBL3829617

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC16A1 P53985 7/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
ABCB11 O95342 1/20 0.37
ADORA2B P29275 5/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3833867 0.92 ALDH1A1 (0.39) ALDH1A1KDM4ESLC16A1CYP3A4CYP2C9
SCHEMBL3827762 0.87 SLC16A1 (0.49) SLC16A1CYP3A4CYP2C9ABCB11
SCHEMBL3829619 0.84 ADORA2B (0.45) ALDH1A1KDM4ESLC16A1CYP3A4CYP2C9
SCHEMBL3831679 0.82 SLC16A1 (0.45) ALDH1A1KDM4ESLC16A1CYP3A4CYP2C9
SCHEMBL14845839 0.79 SLC16A1 (0.50) SLC16A1CYP3A4CYP2C9ABCB11
SCHEMBL3831618 0.78 CYP2C9 (0.63) ALDH1A1KDM4ESLC16A1CYP3A4CYP2C9
SCHEMBL3833119 0.78 KDM4E (0.36) ALDH1A1KDM4ESLC16A1CYP3A4CYP2C9
SCHEMBL3830266 0.77 CYP2C9 (0.42) KDM4ESLC16A1CYP3A4CYP2C9MAPK1
SCHEMBL10292857 0.77 SLC16A1 (0.49) SLC16A1CYP3A4CYP2C9ABCB11
SCHEMBL3826401 0.75 ADORA2B (0.44) ALDH1A1KDM4ESLC16A1CYP3A4CYP2C9

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 ALDH1A1 84/4885KDM4E 1355/4885SLC16A1 3284/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 ALDH1A1 242/4885KDM4E 2081/4885SLC16A1 3369/4885

“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.