SCHEMBL5099879

SCHEMBL5099879

Cc1nn(-c2ccncn2)c(C)c1Cc1sc2c(c1C(=O)N1C[C@](C)(O)CO1)c(=O)n(C)c(=O)n2C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 12/20 0.38
CYP3A4 P08684 8/20 0.38
CYP2C9 P11712 8/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A7 O60669 1/20 0.31
CCNA2 P20248 1/20 0.30
CCNO P22674 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 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
SCHEMBL5106160 0.91 SLC16A1 (0.39) SLC16A1CYP3A4CYP2C9SLC16A3SLC16A7
SCHEMBL5139634 0.91 SLC16A1 (0.39) SLC16A1CYP3A4CYP2C9SLC16A3SLC16A7
SCHEMBL5096834 0.91 SLC16A1 (0.39) SLC16A1CYP3A4CYP2C9SLC16A3SLC16A7
SCHEMBL5100191 0.89 SLC16A1 (0.40) SLC16A1CYP3A4CYP2C9SLC16A3SLC16A7
SCHEMBL5140584 0.89 SLC16A1 (0.40) SLC16A1CYP3A4CYP2C9SLC16A3SLC16A7
SCHEMBL5106516 0.86 SLC16A1 (0.39) SLC16A1CYP3A4CYP2C9SLC16A3SLC16A7
SCHEMBL5100173 0.86 SLC16A1 (0.39) SLC16A1CYP3A4CYP2C9SLC16A3SLC16A7
SCHEMBL14077750 0.84 SLC16A1 (0.39) SLC16A1CYP3A4CYP2C9SLC16A3
SCHEMBL5099956 0.84 SLC16A1 (0.41) SLC16A1CYP3A4CYP2C9SLC16A3SLC16A7
SCHEMBL5099962 0.83 SLC16A1 (0.40) SLC16A1CYP3A4CYP2C9SLC16A3SLC16A7

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 4 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
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2006-03-09 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-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE TPMT, TYMP, TYMS SLC16A1 3968/4885CYP3A4 494/4885CYP2C9 419/4885
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease C5, HRH4, CYP2S1 SLC16A1 4250/4885CYP3A4 77/4885CYP2C9 113/4885

“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.