SCHEMBL5093501

SCHEMBL5093501

CCOC(=O)c1c(C(O)c2cnn(C(c3ccccc3)c3ccccc3)c2)sc2c1c(=O)n(C)c(=O)n2C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 1/20 0.37
ADORA2B P29275 2/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
GAA P10253 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL5096942 0.88 SLC16A1 (0.38) SLC16A1ADORA2BMEN1KMT2ALMNA
SCHEMBL5100035 0.80 SLC16A1 (0.40) SLC16A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5097873 0.76 SLC16A1 (0.41) SLC16A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5120600 0.76 GAA (0.36) SLC16A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5107028 0.74 LMNA (0.35) SLC16A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5093441 0.73 SLC16A1 (0.45) SLC16A1MEN1KMT2APOLBACACB
SCHEMBL5097869 0.69 SLC16A1 (0.49) SLC16A1LMNASMN1; SMN2NPSR1KDM4E
SCHEMBL5138945 0.69 SLC16A1 (0.56) SLC16A1LMNAKDM4EALDH1A1CYP3A4
SCHEMBL5122131 0.68 SLC16A1 (0.39) SLC16A1ADORA2BLMNACYP3A4CYP2C9
SCHEMBL5093440 0.67 SLC16A1 (0.39) SLC16A1ADORA2BMEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-7384951-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
EP-1587812-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2006-08-09 EP 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 (1 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-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE TPMT, TYMP, TYMS SLC16A1 3968/4885ADORA2B 40/4885MEN1 1417/4885

“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.