SCHEMBL4344907

SCHEMBL4344907

COc1cccc(-c2nnc(S)n2N)c1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
P2RX7 Q99572 3/20 0.45
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 3/20 0.39
GFER P55789 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR8 Q9NR97 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28279054 0.87 KDM4E (0.41) KDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL2889816 0.86 KDM4E (0.52) KMT2AKDM4EHSD17B10GFERRAB9A
SCHEMBL4342691 0.75 KDM4E (0.39) KMT2AKDM4EALDH1A1
SCHEMBL4482344 0.75 LRRK2 (0.38) KDM4EBACE1
SCHEMBL4483317 0.75 ALDH1A1 (0.42) GAAKMT2AMEN1KDM4EACHE
SCHEMBL4486268 0.75 ACHE (0.42) KMT2AMEN1KDM4EACHEALDH1A1
SCHEMBL2895238 0.74 ALDH1A1 (0.53) GAAKMT2AMEN1KDM4EHSD17B10
SCHEMBL4559681 0.73 MEN1 (0.44) KMT2AMEN1KDM4ERAB9ASMN1; SMN2
SCHEMBL4351022 0.73 MEN1 (0.47) GAAKMT2AMEN1KDM4EHSD17B10
SCHEMBL4349748 0.73 ALDH1A1 (0.47) GAAKMT2AMEN1KDM4EHSD17B10

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
EP-2046336-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2009-04-15 EP disclosed
US-20080045514-A1 3-Aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-02-21 US disclosed
WO-2008011045-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-01-24 WO 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-20080045514-A1 3-Aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP2 GAA 4330/4885MGAM 4871/4885SI 4105/4885

“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.