SCHEMBL2889816

SCHEMBL2889816

COc1ccccc1-c1nnc(S)n1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
PDE2A O00408 1/20 0.45
PDE10A Q9Y233 1/20 0.45
KCNN4 O15554 4/20 0.44
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
JAK2 O60674 1/20 0.41
TSHR P16473 1/20 0.41
HSP90AA1 P07900 1/20 0.41
AVPR2 P30518 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
PRNP P04156 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4344907 0.86 GAA (0.47) KDM4EKMT2AHSD17B10ALDH1A1RAB9A
SCHEMBL4559681 0.83 MEN1 (0.44) KDM4EKMT2AKCNN4ALDH1A1NPC1
SCHEMBL6406974 0.82 KMT2A (0.63) KDM4EKMT2AHSD17B10ALOX15PDE2A
SCHEMBL4342691 0.82 KDM4E (0.39) KDM4EKMT2APDE2APDE10AALDH1A1
SCHEMBL4482344 0.82 LRRK2 (0.38) KDM4EPDE2APDE10AKCNN4JAK2
SCHEMBL4486268 0.81 ACHE (0.42) KDM4EKMT2AALDH1A1LMNATSHR
SCHEMBL4483317 0.81 ALDH1A1 (0.42) KDM4EKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4351022 0.80 MEN1 (0.47) KDM4EKMT2AHSD17B10PDE10AALDH1A1
SCHEMBL4465802 0.80 HSD11B1 (0.53) KDM4EPDE2APDE10AKCNN4ALDH1A1
SCHEMBL4346620 0.80 ALDH1A1 (0.56) KDM4EKMT2AHSD17B10ALDH1A1LMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732468-B2 3-aryl-6-aryl-[ 1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and related compounds as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2010-06-08 US disclosed
US-7732468-B2 3-aryl-6-aryl-[ 1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and related compounds as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2010-06-08 US disclosed
US-7732468-B2 3-aryl-6-aryl-[ 1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and related compounds as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2010-06-08 US disclosed
WO-2009094205-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) 2009-07-30 WO disclosed
WO-2009094205-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) 2009-07-30 WO disclosed
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
WO-2008060578-A2 3-ARYL-6-ARYL-[1,2,4] TRIAZOLO[3,4-B][1,3,4] THIADIAZOLES AND RELATED COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-05-22 WO disclosed
WO-2008060578-A2 3-ARYL-6-ARYL-[1,2,4] TRIAZOLO[3,4-B][1,3,4] THIADIAZOLES AND RELATED COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-05-22 WO disclosed
US-20080113984-A1 3-Aryl-6-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and related compounds as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-05-15 US disclosed
US-20080113984-A1 3-Aryl-6-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and related compounds as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-05-15 US disclosed
US-20080113984-A1 3-Aryl-6-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and related compounds as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-05-15 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
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 (2 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-20080113984-A1 3-Aryl-6-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and related compounds as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP2 KDM4E 3241/4885KMT2A 3790/4885HSD17B10 1078/4885
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 KDM4E 1958/4885KMT2A 2333/4885HSD17B10 675/4885

“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.