SCHEMBL5937460

SCHEMBL5937460

COc1cccc(-c2nc(SCc3ccc(N)cc3)[nH]c(=O)c2C#N)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.66
KMT2A Q03164 9/20 0.66
POLB P06746 7/20 0.62
PLA2G1B P04054 2/20 0.62
ATG4B Q9Y4P1 2/20 0.62
TNF P01375 1/20 0.62
NOD2 Q9HC29 1/20 0.62
NOD1 Q9Y239 1/20 0.62
ACMSD Q8TDX5 2/20 0.61
BRD4 O60885 3/20 0.61
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
LDHA P00338 1/20 0.58
LDHB P07195 1/20 0.58
CXCR2 P25025 1/20 0.56
ALDH1A1 P00352 1/20 0.55
SAE1 Q9UBE0 1/20 0.55
UBA2 Q9UBT2 1/20 0.55

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
SCHEMBL5937449 0.92 BRD4 (0.62) MEN1KMT2APOLBPLA2G1BATG4B
SCHEMBL5937419 0.84 MEN1 (0.64) MEN1KMT2APOLBPLA2G1BATG4B
SCHEMBL16775308 0.83 ACMSD (0.81) MEN1KMT2APOLBPLA2G1BATG4B
SCHEMBL16775367 0.83 MEN1 (0.92) MEN1KMT2APOLBPLA2G1BATG4B
SCHEMBL5937474 0.82 LDHA (0.62) MEN1KMT2APOLBPLA2G1BATG4B
SCHEMBL20099427 0.82 MEN1 (0.78) MEN1KMT2APOLBPLA2G1BATG4B
SCHEMBL6215257 0.82 HPGD (0.73) MEN1KMT2APOLBPLA2G1BATG4B
SCHEMBL29554397 0.81 BRD4 (0.83) MEN1KMT2APOLBTNFNOD2
SCHEMBL29272643 0.81 BRD4 (0.83) MEN1KMT2APOLBTNFNOD2
SCHEMBL16772515 0.81 MEN1 (0.80) MEN1KMT2APOLBPLA2G1BATG4B

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
US-20060100226-A1 2-Thiopyrimidinones as therapeutic agents ATHEROGENICS, INC. 2006-05-11 US disclosed
WO-2006031806-A2 2-THIOPYRIMIDINONES AS THERAPEUTIC AGENTS ATHEROGENICS, INC. (US) 2006-03-23 WO 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-20060100226-A1 2-Thiopyrimidinones as therapeutic agents MAP3K6, MAP3K20, MAP3K7 MEN1 2714/4885KMT2A 2236/4885POLB 3116/4885

“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.