SCHEMBL4401382

SCHEMBL4401382

Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc4ccccc4c(=O)n3-c3ccccc3)s2)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.93
ADORA1 P30542 4/20 0.83
JUN P05412 4/20 0.72
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
PPARG P37231 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNH2 Q12809 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
ADORA2A P29274 3/20 0.54
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL4399816 0.98 ADORA3 (0.96) ADORA3ADORA1JUNMEN1NPC1
SCHEMBL4398544 0.96 ADORA3 (1.00) ADORA3ADORA1JUNMEN1NPC1
SCHEMBL4397279 0.95 ADORA3 (0.90) ADORA3ADORA1JUNMEN1NPC1
SCHEMBL4401440 0.94 ADORA3 (1.00) ADORA3ADORA1JUNADORA2ANFKB1
SCHEMBL4398286 0.94 ADORA3 (0.90) ADORA3ADORA1JUNMEN1NPC1
SCHEMBL15190023 0.94 ADORA3 (0.82) ADORA3ADORA1JUNMEN1NPC1
SCHEMBL4395645 0.92 ADORA3 (1.00) ADORA3ADORA1JUNALDH1A1RAB9A
SCHEMBL4395373 0.91 ADORA3 (0.86) ADORA3ADORA1JUNNPC1ALDH1A1
SCHEMBL4397818 0.90 ADORA3 (0.79) ADORA3ADORA1JUNMEN1NPC1
SCHEMBL4396291 0.90 ADORA3 (0.84) ADORA3ADORA1JUNMEN1ALDH1A1

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

“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.