SCHEMBL1022332

SCHEMBL1022332

NCCCCCCNc1nc(Cc2ccccc2F)ns1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 1/20 0.38
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
HTR6 P50406 1/20 0.36
DYRK1B Q9Y463 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
F13A1 P00488 1/20 0.34
ACHE P22303 4/20 0.33
ALDH1A1 P00352 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
SCHEMBL1020624 1.00 CDK7 (0.38) CDK7TLR8TLR7HTR6DYRK1B
SCHEMBL1019846 0.99 TLR8 (0.37) CDK7TLR8TLR7HTR6DYRK1B
SCHEMBL1021187 0.95 TLR8 (0.38) CDK7TLR8TLR7HTR6PIM1
SCHEMBL1019884 0.90 HTR6 (0.38) TLR8TLR7HTR6TAAR1ALDH1A1
SCHEMBL1019285 0.86 CHRM2 (0.38) TLR8TLR7HTR6TAAR1ACHE
SCHEMBL1021184 0.86 CHRM2 (0.38) TLR8TLR7HTR6TAAR1ACHE
SCHEMBL1021044 0.86 TAAR1 (0.46) TLR8TLR7HTR6TAAR1ALDH1A1
SCHEMBL1020808 0.85 TLR8 (0.37) TLR8TLR7HTR6TAAR1ACHE
SCHEMBL1020713 0.83 CHRM2 (0.51) TLR8TLR7TAAR1ACHE
SCHEMBL1020832 0.83 CHRM2 (0.51) TLR8TLR7TAAR1ACHE

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-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CDK7 922/4885TLR8 3950/4885TLR7 4508/4885

“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.