SCHEMBL1021228

SCHEMBL1021228

CCC(N)CNc1nc(Cc2ccccc2F)ns1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.42
AKT1 P31749 3/20 0.42
HTR6 P50406 1/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PRKCI P41743 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 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
SCHEMBL1020633 0.91 CDK2 (0.39) CDK2AKT1HTR6NPC1RAB9A
SCHEMBL1021065 0.88 HTR6 (0.38) CDK2AKT1HTR6NPC1RAB9A
SCHEMBL1018395 0.88 HTR6 (0.38) CDK2AKT1HTR6NPC1RAB9A
SCHEMBL1018500 0.87 HTR6 (0.36) CDK2AKT1HTR6PRKCITLR8
SCHEMBL1024071 0.84 HTR6 (0.39) HTR6MEN1KMT2APRKCITLR8
SCHEMBL1019634 0.81 HTR6 (0.37) CDK2AKT1HTR6NPC1RAB9A
SCHEMBL1021490 0.81 AKT1 (0.38) CDK2AKT1HTR6NPC1PRKCI
SCHEMBL1019884 0.80 HTR6 (0.38) HTR6NPC1RAB9AMEN1KMT2A
SCHEMBL1021873 0.79 AKT1 (0.43) CDK2AKT1HTR6NPC1MEN1
SCHEMBL1021044 0.79 TAAR1 (0.46) HTR6NPC1RAB9ATLR8TLR7

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 CDK2 1028/4885AKT1 2606/4885HTR6 2082/4885

“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.