SCHEMBL3827951

SCHEMBL3827951

CCn1c(=O)c2c(C(=O)O)c(Cc3c(C)n[nH]c3C)sc2n(C(C)C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 2/20 0.46
SLC16A3 O15427 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HPD P32754 1/20 0.33
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL3834031 0.87 SLC16A1 (0.53) SLC16A1SLC16A3CYP3A4CYP2C9MEN1
SCHEMBL3826419 0.82 SLC16A1 (0.72) SLC16A1SLC16A3CYP3A4CYP2C9ADORA2B
SCHEMBL3828082 0.79 SLC16A1 (0.35) SLC16A1HPDADORA2AADORA2BADORA1
SCHEMBL3828111 0.78 SLC16A1 (0.70) SLC16A1SLC16A3CYP3A4CYP2C9
SCHEMBL3834033 0.78 SLC16A1 (0.52) SLC16A1SLC16A3CYP3A4CYP2C9MEN1
SCHEMBL5093483 0.78 SLC16A1 (0.69) SLC16A1SLC16A3CYP3A4CYP2C9
SCHEMBL5099894 0.77 SLC16A1 (0.49) SLC16A1SLC16A3CYP3A4CYP2C9
SCHEMBL3832025 0.77 ADORA2B (0.40) SLC16A1KMT2AHPDADORA2B
SCHEMBL3850613 0.77 SLC16A1 (0.55) SLC16A1SLC16A3CYP3A4CYP2C9MEN1
SCHEMBL5096911 0.74 SLC16A1 (0.44) SLC16A1SLC16A3CYP3A4CYP2C9

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 7 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
EP-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 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-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 SLC16A1 3284/4885SLC16A3 3257/4885CYP3A4 93/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 SLC16A1 3369/4885SLC16A3 3488/4885CYP3A4 103/4885

“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.