SCHEMBL1018395

SCHEMBL1018395

CC(N)CNc1nc(Cc2ccccc2F)ns1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
CDK2 P24941 1/20 0.37
AKT1 P31749 1/20 0.37
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 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
SCHEMBL1019634 0.88 HTR6 (0.37) HTR6CDK2AKT1TLR8TLR7
SCHEMBL1021228 0.88 CDK2 (0.42) HTR6CDK2AKT1TLR8TLR7
SCHEMBL1018027 0.86 HTR6 (0.37) HTR6TLR8TLR7CYP3A4CYP2D6
SCHEMBL1020633 0.86 CDK2 (0.39) HTR6CDK2AKT1TLR8TLR7
SCHEMBL1019113 0.83 HTR6 (0.40) HTR6TLR8TLR7CYP3A4CYP2D6
SCHEMBL1019884 0.82 HTR6 (0.38) HTR6TLR8TLR7TAAR1ADORA2A
SCHEMBL1023581 0.82 SLC6A2 (0.38) HTR6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1021065 0.81 HTR6 (0.38) HTR6CDK2AKT1TLR8TLR7
SCHEMBL1021044 0.81 TAAR1 (0.46) HTR6TLR8TLR7TAAR1CYP3A4
SCHEMBL1021187 0.80 TLR8 (0.38) HTR6TLR8TLR7TAAR1ADORA2A

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 2082/4885CDK2 1028/4885AKT1 2606/4885

“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.