SCHEMBL1019884

SCHEMBL1019884

NCCNc1nc(Cc2ccccc2F)ns1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MPO P05164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 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
SCHEMBL1021187 0.92 TLR8 (0.38) HTR6TAAR1ADORA2AADORA2BADORA1
SCHEMBL1019846 0.91 TLR8 (0.37) HTR6TAAR1ADORA2AADORA2BADORA1
SCHEMBL1020624 0.90 CDK7 (0.38) HTR6TAAR1TLR8TLR7ALDH1A1
SCHEMBL1022332 0.90 CDK7 (0.38) HTR6TAAR1TLR8TLR7ALDH1A1
SCHEMBL1021044 0.88 TAAR1 (0.46) HTR6TAAR1ADORA2AHTR2CHTR2B
SCHEMBL1023487 0.85 TAAR1 (0.39) HTR6TAAR1HTR2CHTR2BTLR8
SCHEMBL1019634 0.85 HTR6 (0.37) HTR6TAAR1ADORA2AADORA2BADORA1
SCHEMBL1021065 0.83 HTR6 (0.38) HTR6TAAR1ADORA2AADORA2BADORA1
SCHEMBL1018395 0.82 HTR6 (0.38) HTR6TAAR1ADORA2AADORA2BADORA1
SCHEMBL1021201 0.82 TAAR1 (0.43) HTR6TAAR1ADORA2AADORA2BADORA1

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 HTR6 2082/4885TAAR1 2621/4885ADORA2A 2225/4885

“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.