SCHEMBL4401440

SCHEMBL4401440

O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2)s1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 1.00
ADORA1 P30542 4/20 0.83
JUN P05412 5/20 0.74
ADORA2A P29274 4/20 0.55
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL4398544 0.94 ADORA3 (1.00) ADORA3ADORA1JUNADORA2ANFKB1
SCHEMBL4401382 0.94 ADORA3 (0.93) ADORA3ADORA1JUNADORA2ANFKB1
SCHEMBL4402526 0.93 ADORA3 (1.00) ADORA3ADORA1JUNADORA2ANFKB1
SCHEMBL4395373 0.93 ADORA3 (0.86) ADORA3ADORA1JUNADORA2ANFKB1
SCHEMBL4399816 0.92 ADORA3 (0.96) ADORA3ADORA1JUNADORA2ANFKB1
SCHEMBL4396291 0.92 ADORA3 (0.84) ADORA3ADORA1JUNADORA2ANFKB1
SCHEMBL4396145 0.91 ADORA3 (1.00) ADORA3ADORA1JUNNFKB1NFKB2
SCHEMBL4397163 0.89 ADORA3 (0.84) ADORA3ADORA1JUNNFKB1NFKB2
SCHEMBL4397279 0.89 ADORA3 (0.90) ADORA3ADORA1JUNADORA2ANFKB1
SCHEMBL4398939 0.88 ADORA3 (0.79) ADORA3ADORA1JUNADORA2ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-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

“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.