SCHEMBL4351027

SCHEMBL4351027

COc1ccc(-c2n[nH]c(SC)nc2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE1C Q14123 1/20 0.46
PDE3A Q14432 1/20 0.46
CDK4 P11802 8/20 0.46
CCND1 P24385 7/20 0.46
CDK2 P24941 5/20 0.46
CCNE2 O96020 4/20 0.46
CCNE1 P24864 4/20 0.46
LMNA P02545 2/20 0.44
ALPL P05186 1/20 0.44
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4346430 0.83 KMT2A (0.50) MEN1KMT2ALMNANOTUMKDM4E
SCHEMBL11068704 0.82 MAPK14 (0.47) ALPLNOTUMALDH1A1GSK3AGSK3B
SCHEMBL8407246 0.81 ALDH1A1 (0.50) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4623876 0.76 MEN1 (0.66) MEN1KMT2APDE1APDE1BPDE3B
SCHEMBL4346606 0.75 MEN1 (0.49) MEN1KMT2APDE1APDE1BPDE3B
SCHEMBL11272419 0.71 ALDH1A1 (0.66) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL21852751 0.71 ALDH1A1 (0.67) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL4624028 0.70 MEN1 (1.00) MEN1KMT2APDE1APDE1BPDE3B
SCHEMBL14525866 0.69 ALDH1A1 (0.64) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL9833045 0.69 ALDH1A1 (0.50) MEN1KMT2ALMNAKDM4EALDH1A1

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 6 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
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
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
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 MEN1 3491/4885KMT2A 2333/4885PDE1A 4249/4885

“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.