SCHEMBL1021374

SCHEMBL1021374

NCCNc1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
HTR6 P50406 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
FERMT2 Q96AC1 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOB P27338 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HTR2C P28335 2/20 0.32
ADRA1D P25100 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
HTR2B P41595 1/20 0.32
AKT1 P31749 1/20 0.31

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
SCHEMBL1019817 0.92 STK17A (0.38) ALDH1A1KDM4ETAAR1HTR6LOXL2
SCHEMBL1021808 0.91 ALDH1A1 (0.35) ALDH1A1KDM4ETAAR1HTR6LOXL2
SCHEMBL1020743 0.89 DYRK1B (0.36) ALDH1A1KDM4ETAAR1HTR6TLR8
SCHEMBL1019082 0.89 DYRK1B (0.36) ALDH1A1KDM4ETAAR1HTR6TLR8
SCHEMBL13718831 0.87 TAAR1 (0.45) ALDH1A1KDM4ETAAR1HTR6BCHE
SCHEMBL1024188 0.86 SMN1; SMN2 (0.37) ALDH1A1TAAR1HTR6TLR8TLR7
SCHEMBL1020371 0.86 NPC1 (0.39) ALDH1A1TAAR1HTR6FERMT2ADORA2A
SCHEMBL1020888 0.86 TAAR1 (0.44) ALDH1A1KDM4ETAAR1HTR6TDP1
SCHEMBL1018388 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EHTR6
SCHEMBL13718482 0.84 HTR7 (0.41) ALDH1A1KDM4ETAAR1HTR6BCHE

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 4180/4885TAAR1 2621/4885

“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.