SCHEMBL4398346

SCHEMBL4398346

O=C(Nc1nc(-c2ccccc2)c(C(=O)c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)s1)c1ccco1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.89
ADORA1 P30542 12/20 0.89
ADORA3 P0DMS8 9/20 0.89
HPGD P15428 3/20 0.82
NPC1 O15118 2/20 0.82
RAB9A P51151 2/20 0.82
ADORA2B P29275 3/20 0.81
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
MAPT P10636 2/20 0.74
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
KDM4E B2RXH2 2/20 0.72
PPARG P37231 1/20 0.72
NCOA2 Q15596 1/20 0.72
NCOA1 Q15788 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
RXFP1 Q9HBX9 1/20 0.72

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
SCHEMBL1450069 0.82 ADORA2A (0.74) ADORA2AADORA1ADORA3HPGDNPC1
SCHEMBL4394380 0.81 ADORA2A (0.61) ADORA2AADORA1ADORA3HPGDNPC1
SCHEMBL1254331 0.81 ADORA2A (0.84) ADORA2AADORA1ADORA3HPGDNPC1
SCHEMBL4397896 0.81 PKM (0.83) ADORA2AADORA1ADORA3HPGDNPC1
SCHEMBL13256296 0.80 HPGD (0.66) ADORA2AADORA1ADORA3HPGDNPC1
SCHEMBL4393284 0.80 ADORA3 (0.69) ADORA2AADORA1ADORA3NPC1RAB9A
SCHEMBL8268333 0.79 HPGD (0.64) ADORA2AADORA1ADORA3HPGDNPC1
SCHEMBL3587905 0.77 PKM (1.00) ADORA2AADORA1ADORA3HPGDNPC1
SCHEMBL1450234 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA3HPGDNPC1
SCHEMBL1255518 0.76 L3MBTL1 (0.60) ADORA2AADORA1ADORA3HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829014-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-09-09 US disclosed
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers GIORDANO ANTHONY (US) 2012-11-08 US disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 US disclosed
EP-2007393-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 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-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ADORA2A 2266/4885ADORA1 3601/4885ADORA3 3140/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ADORA2A 2266/4885ADORA1 3601/4885ADORA3 3140/4885

“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.