SCHEMBL1019082

SCHEMBL1019082

NCCCCCCNc1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 1/20 0.36
CHRM2 P08172 1/20 0.35
F13A1 P00488 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
STK17A Q9UEE5 2/20 0.34
STK17B O94768 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HTR6 P50406 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SYK P43405 1/20 0.32
ACHE P22303 3/20 0.32

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
SCHEMBL1020743 1.00 DYRK1B (0.36) DYRK1BCHRM2F13A1ALDH1A1KDM4E
SCHEMBL1021808 0.99 ALDH1A1 (0.35) DYRK1BCHRM2F13A1ALDH1A1KDM4E
SCHEMBL1019817 0.95 STK17A (0.38) ALDH1A1KDM4ESTK17ASTK17BTLR8
SCHEMBL1021374 0.89 ALDH1A1 (0.37) ALDH1A1KDM4ETLR8TLR7HTR6
SCHEMBL1022485 0.87 SYK (0.37) CHRM2F13A1ALDH1A1TLR8TLR7
SCHEMBL1021252 0.87 STK17A (0.39) STK17ASTK17B
SCHEMBL1020759 0.87 SYK (0.37) CHRM2F13A1ALDH1A1TLR8TLR7
SCHEMBL1020741 0.87 STK17A (0.39) STK17ASTK17B
SCHEMBL1020762 0.87 ACHE (0.38) F13A1ACHE
SCHEMBL1019689 0.87 ACHE (0.38) F13A1ACHE

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 DYRK1B 1829/4885CHRM2 3891/4885F13A1 4127/4885

“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.