SCHEMBL562685

SCHEMBL562685

NC1=NS(=O)(=O)Nc2nc(C3CCCC3)[nH]c21

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.34
ADORA2B P29275 5/20 0.34
ADORA3 P0DMS8 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
PMP22 Q01453 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK13 O15264 1/20 0.33
RAF1 P04049 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ADORA1 P30542 4/20 0.32

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
SCHEMBL563076 0.99 KDM4E (0.36) ADORA2AADORA2BADORA3LMNACYP1A2
SCHEMBL12322047 0.60 ALDH1A1 (0.34)
SCHEMBL562700 0.59 ATIC (0.49)
SCHEMBL14743923 0.58 PNP (0.59) ADORA2AADORA2BADORA3LMNACYP1A2
SCHEMBL12294943 0.57 KDM4E (0.39) ADORA2AADORA2BADORA3LMNACYP1A2
SCHEMBL9517058 0.56 RAF1 (0.62) ADORA2AADORA2BADORA3KDM4ESMN1; SMN2
SCHEMBL11138215 0.56 HTT (0.50) ADORA2AADORA2BLMNAKDM4EMAPT
SCHEMBL9514583 0.55 RAF1 (0.64) ADORA2AADORA2BADORA3MAPK13RAF1
SCHEMBL14743314 0.55 KDM4E (0.46) ADORA2AADORA2BADORA3KDM4EMAPT
SCHEMBL18760503 0.55 ADORA2A (0.44) ADORA2AADORA2BADORA3LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815846-B2 Family of antichagasics derived from imidazo[4,5-C][1,2,6]thiadiazine 2,2-dioxide UNIVERSIDAD DE LA REPUBLICA DE URUGUAY (UY) 2014-08-26 US claimed
US-20120035160-A1 NEW FAMILY OF ANTICHAGASICS DERIVED FROM IMIDAZO[4,5-C][1,2,6]THIADIAZINE 2,2-DIOXIDE UNIVERSIDAD DE LA REPUB'LICA URUGUAY (UY) 2012-02-09 US claimed
EP-2392577-A1 NEW FAMILY OF ANTICHAGASICS DERIVED FROM IMIDAZO[4,5-C][1,2,6]THIADIAZINE 2,2-DIOXIDE Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2011-12-07 EP claimed
US-8815846-B2 Family of antichagasics derived from imidazo[4,5-C][1,2,6]thiadiazine 2,2-dioxide UNIVERSIDAD DE LA REPUBLICA DE URUGUAY (UY) 2014-08-26 US disclosed
US-8815846-B2 Family of antichagasics derived from imidazo[4,5-C][1,2,6]thiadiazine 2,2-dioxide UNIVERSIDAD DE LA REPUBLICA DE URUGUAY (UY) 2014-08-26 US disclosed
US-20120035160-A1 NEW FAMILY OF ANTICHAGASICS DERIVED FROM IMIDAZO[4,5-C][1,2,6]THIADIAZINE 2,2-DIOXIDE UNIVERSIDAD DE LA REPUB'LICA URUGUAY (UY) 2012-02-09 US disclosed
US-20120035160-A1 NEW FAMILY OF ANTICHAGASICS DERIVED FROM IMIDAZO[4,5-C][1,2,6]THIADIAZINE 2,2-DIOXIDE UNIVERSIDAD DE LA REPUB'LICA URUGUAY (UY) 2012-02-09 US disclosed
EP-2392577-A1 NEW FAMILY OF ANTICHAGASICS DERIVED FROM IMIDAZO[4,5-C][1,2,6]THIADIAZINE 2,2-DIOXIDE Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2011-12-07 EP disclosed
EP-2392577-A1 NEW FAMILY OF ANTICHAGASICS DERIVED FROM IMIDAZO[4,5-C][1,2,6]THIADIAZINE 2,2-DIOXIDE Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2011-12-07 EP disclosed
WO-2010086481-A1 NEW FAMILY OF ANTICHAGASICS DERIVED FROM IMIDAZO[4,5-C][1,2,6]THIADIAZINE 2,2-DIOXIDE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2010-08-05 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-20120035160-A1 NEW FAMILY OF ANTICHAGASICS DERIVED FROM IMIDAZO[4,5-C][1,2,6]THIADIAZINE 2,2-DIOXIDE THOC2, TUBGCP2, TBC1D5 ADORA2A 2584/4885ADORA2B 2620/4885ADORA3 2902/4885

“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.