SCHEMBL5106258

SCHEMBL5106258

Cc1nn(-c2ccncc2)c(C)c1Cc1sc2c(c1C(=O)O)c(=O)n(C)c(=O)n2C(C)C.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 9/20 0.42
CYP2C9 P11712 5/20 0.34
CYP3A4 P08684 4/20 0.34
SLC16A3 O15427 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL5106262 0.91 SLC16A1 (0.42) SLC16A1CYP2C9CYP3A4SLC16A3LMNA
SCHEMBL5100047 0.89 SLC16A1 (0.41) SLC16A1CYP2C9CYP3A4SLC16A3LMNA
SCHEMBL5099956 0.89 SLC16A1 (0.41) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL5093353 0.84 SLC16A1 (0.42) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL5096834 0.83 SLC16A1 (0.39) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL5139634 0.83 SLC16A1 (0.39) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3845054 0.81 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4SLC16A3LMNA
SCHEMBL5099962 0.80 SLC16A1 (0.40) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3834031 0.77 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4SLC16A3LMNA
SCHEMBL5106237 0.77 SLC16A1 (0.41) SLC16A1CYP2C9CYP3A4SLC16A3LMNA

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
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 3968/4885CYP2C9 419/4885CYP3A4 494/4885
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease C5, HRH4, CYP2S1 SLC16A1 4250/4885CYP2C9 113/4885CYP3A4 77/4885

“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.