SCHEMBL6637503

SCHEMBL6637503

CC(C)Cn1c(=O)n(C)c(=O)c2c(Br)c(C(=O)c3ccnc4ccccc34)sc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 17/20 0.55
CYP2C9 P11712 12/20 0.52
CYP3A4 P08684 9/20 0.52
SLC16A7 O60669 1/20 0.51
MAPKAPK2 P49137 1/20 0.40
CAMK2B Q13554 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6636596 0.83 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL6639761 0.82 SLC16A1 (0.41) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL6638971 0.81 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL3827707 0.80 SLC16A1 (0.76) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL3827710 0.80 SLC16A1 (0.76) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL7007940 0.80 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL6637125 0.79 SLC16A1 (0.55) SLC16A1CYP2C9CYP3A4
SCHEMBL7007181 0.78 SLC16A1 (0.40) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL6640885 0.75 SLC16A1 (0.37) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL4847425 0.74 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280806-B1 THIENO 2,3-d]PYRIMIDINEDIONES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2004-08-04 EP disclosed
US-20040014634-A1 Thieno[2,3-d]pyrimidinediones and their use as pharmaceuticals ASTRAZENECA AB (SE) 2004-01-22 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 (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-20040014634-A1 Thieno[2,3-d]pyrimidinediones and their use as pharmaceuticals DPYD, TYMP, TYMS SLC16A1 4584/4885CYP2C9 126/4885CYP3A4 188/4885

“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.