SCHEMBL1021808

SCHEMBL1021808

NCCCCNc1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
STK17A Q9UEE5 2/20 0.34
STK17B O94768 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HTR6 P50406 1/20 0.33
SYK P43405 1/20 0.33
F13A1 P00488 1/20 0.33
CHRM2 P08172 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
KCNH3 Q9ULD8 1/20 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
SCHEMBL1019082 0.99 DYRK1B (0.36) ALDH1A1KDM4ESTK17ASTK17BTLR8
SCHEMBL1020743 0.99 DYRK1B (0.36) ALDH1A1KDM4ESTK17ASTK17BTLR8
SCHEMBL1019817 0.96 STK17A (0.38) ALDH1A1KDM4ESTK17ASTK17BTLR8
SCHEMBL1021374 0.91 ALDH1A1 (0.37) ALDH1A1KDM4ETLR8TLR7TAAR1
SCHEMBL1021399 0.87 SYK (0.38) ALDH1A1TLR8TLR7TAAR1HTR6
SCHEMBL1019542 0.87 STK17A (0.40) ALDH1A1STK17ASTK17B
SCHEMBL1021459 0.86 MAOA (0.38)
SCHEMBL1020741 0.86 STK17A (0.39) STK17ASTK17B
SCHEMBL1020759 0.86 SYK (0.37) ALDH1A1TLR8TLR7TAAR1HTR6
SCHEMBL1021252 0.86 STK17A (0.39) STK17ASTK17B

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 ALDH1A1 608/4885KDM4E 4180/4885STK17A 756/4885

“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.