SCHEMBL4352792

SCHEMBL4352792

COc1ccc(-c2n[nH]c(=S)[nH]c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
DYRK1A Q13627 1/20 0.51
CDK4 P11802 6/20 0.49
CCND1 P24385 6/20 0.49
CCNE2 O96020 4/20 0.49
CCNE1 P24864 4/20 0.49
CDK2 P24941 4/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.47
ALPL P05186 1/20 0.47
NOTUM Q6P988 1/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
ERAP1 Q9NZ08 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
SCHEMBL4354117 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1LMNANOTUM
SCHEMBL1065660 0.78 ATM (0.56) MEN1KMT2AALDH1A1ALPL
SCHEMBL24454002 0.75 LIG1 (0.49) MEN1KMT2AALDH1A1LMNAPDE3B
SCHEMBL710318 0.74 ATM (0.67) GSK3AGSK3BDYRK1ACDK4CCND1
SCHEMBL30719652 0.74 ATM (0.67) GSK3AGSK3BDYRK1ACDK4CCND1
SCHEMBL4624028 0.73 MEN1 (1.00) MEN1KMT2ACDK4CCND1CCNE2
SCHEMBL4623876 0.73 MEN1 (0.66) MEN1KMT2AGSK3AGSK3BDYRK1A
SCHEMBL4124300 0.73 ENPP1 (0.66) MEN1KMT2AGSK3AGSK3BDYRK1A
SCHEMBL25184550 0.72 GSK3A (0.55) MEN1KMT2AGSK3AGSK3BDYRK1A
SCHEMBL2886126 0.72 GSK3A (0.52) MEN1KMT2AGSK3AGSK3BDYRK1A

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 5 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

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 2333/4885GSK3A 1964/4885

“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.