SCHEMBL4397898

SCHEMBL4397898

COc1cccc(-n2c(-c3sc(Nc4ccccc4)nc3-c3ccccc3)nc3ccccc3c2=O)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JUN P05412 6/20 0.74
ADORA3 P0DMS8 10/20 0.65
ADORA1 P30542 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.59
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
NPC1 O15118 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
PTPN11 Q06124 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL4398878 0.91 JUN (0.88) JUNADORA3ADORA1NFKB1NFKB2
SCHEMBL4395500 0.90 JUN (0.70) JUNADORA3ADORA1SMN1; SMN2NFKB1
SCHEMBL4402480 0.90 JUN (0.67) JUNADORA3ADORA1SMN1; SMN2NFKB1
SCHEMBL4393592 0.88 JUN (0.83) JUNADORA3ADORA1NFKB1NFKB2
SCHEMBL4397163 0.86 ADORA3 (0.84) JUNADORA3ADORA1SMN1; SMN2NFKB1
SCHEMBL4400262 0.85 JUN (0.84) JUNADORA3ADORA1SMN1; SMN2NFKB1
SCHEMBL4394395 0.85 JUN (1.00) JUNADORA3ADORA1NFKB1NFKB2
SCHEMBL4391177 0.85 JUN (1.00) JUNADORA3ADORA1NFKB1NFKB2
SCHEMBL4400063 0.85 JUN (0.80) JUNADORA3ADORA1SMN1; SMN2NFKB1
SCHEMBL4397868 0.84 JUN (0.78) JUNADORA3ADORA1SMN1; SMN2NFKB1

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 JUN 2228/4885ADORA3 3140/4885ADORA1 3601/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB JUN 2228/4885ADORA3 3140/4885ADORA1 3601/4885

“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.