SCHEMBL1021065

SCHEMBL1021065

CCC(N)CCNc1nc(Cc2ccccc2F)ns1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CDK2 P24941 1/20 0.33
AKT1 P31749 1/20 0.33
MAPK14 Q16539 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL1021228 0.88 CDK2 (0.42) HTR6TLR8TLR7TAAR1CDK2
SCHEMBL1019634 0.88 HTR6 (0.37) HTR6TLR8TLR7TAAR1CDK2
SCHEMBL1023776 0.87 HRH3 (0.38) HTR6HRH3TLR8TLR7HTR2C
SCHEMBL1021347 0.84 HTR6 (0.40) HTR6HRH3TLR8TLR7MEN1
SCHEMBL1020633 0.84 CDK2 (0.39) HTR6TLR8TLR7TAAR1CDK2
SCHEMBL1019884 0.83 HTR6 (0.38) HTR6TLR8TLR7TAAR1MEN1
SCHEMBL1021044 0.82 TAAR1 (0.46) HTR6TLR8TLR7TAAR1NPC1
SCHEMBL1020246 0.81 HRH3 (0.39) HTR6HRH3TLR8TLR7TAAR1
SCHEMBL1018395 0.81 HTR6 (0.38) HTR6TLR8TLR7TAAR1CDK2
SCHEMBL1021187 0.81 TLR8 (0.38) HTR6HRH3TLR8TLR7TAAR1

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 2082/4885HRH3 2765/4885TLR8 3950/4885

“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.