SCHEMBL3828205

SCHEMBL3828205

CCCc1nc2ccccc2n1Cc1sc2c(c1C(=O)OC)c(=O)n(C)c(=O)n2CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.49
SLC16A1 P53985 4/20 0.49
CYP3A4 P08684 2/20 0.49
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
PPARG P37231 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4837983 0.91 AGTR1 (0.50) CYP2C9SLC16A1CYP3A4AGTR1AGTR2
SCHEMBL3832938 0.82 SLC16A1 (0.60) CYP2C9SLC16A1CYP3A4AGTR1AGTR2
SCHEMBL3830041 0.82 SLC16A1 (0.68) CYP2C9SLC16A1CYP3A4AGTR1AGTR2
SCHEMBL4797431 0.81 SLC16A1 (0.61) CYP2C9SLC16A1CYP3A4AGTR1AGTR2
SCHEMBL3830266 0.81 CYP2C9 (0.42) CYP2C9SLC16A1CYP3A4MAPTTP53
SCHEMBL3832814 0.78 CYP2C9 (0.51) CYP2C9SLC16A1CYP3A4AGTR1AGTR2
SCHEMBL3833746 0.78 SLC16A1 (0.61) CYP2C9SLC16A1CYP3A4MEN1KMT2A
SCHEMBL3866317 0.77 SLC16A1 (0.50) CYP2C9SLC16A1CYP3A4AGTR1AGTR2
SCHEMBL5788548 0.76 SLC16A1 (0.49) CYP2C9SLC16A1CYP3A4AGTR1AGTR2
SCHEMBL4838457 0.76 SLC16A1 (0.51) CYP2C9SLC16A1CYP3A4MEN1KMT2A

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 CYP2C9 89/4885SLC16A1 3284/4885CYP3A4 93/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 CYP2C9 71/4885SLC16A1 3369/4885CYP3A4 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.