⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27781216 | 0.98 | ALDH1A1 (0.39) | — | |
| SCHEMBL4457413 | 0.81 | — | — | |
| SCHEMBL26109507 | 0.79 | ALPL (0.38) | — | |
| SCHEMBL2491086 | 0.79 | ALPL (0.38) | — | |
| SCHEMBL26111489 | 0.79 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL9830433 | 0.78 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL7750625 | 0.75 | — | — | |
| SCHEMBL8660213 | 0.75 | CASP1 (0.39) | — | |
| SCHEMBL8656235 | 0.75 | CASP1 (0.44) | — | |
| SCHEMBL28180375 | 0.75 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025233865-A1 | ENPP1 INHIBITORS | RE VENTURES I, LLC (US) | 2025-11-13 | — | — | WO | disclosed |
| US-11191765-B2 | Heterocyclic compounds for the inhibition of PASK | BIOENERGENIX LLC (US) | 2021-12-07 | — | — | US | disclosed |
| US-11191765-B2 | Heterocyclic compounds for the inhibition of PASK | BIOENERGENIX LLC (US) | 2021-12-07 | — | — | US | disclosed |
| US-20160235755-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | BIOENERGENIX LLC | 2016-08-18 | — | — | US | disclosed |
| US-20160235755-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | BIOENERGENIX LLC | 2016-08-18 | — | — | US | disclosed |
| US-20160235755-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | BIOENERGENIX LLC | 2016-08-18 | — | — | US | disclosed |
| US-9278973-B2 | Heterocyclic compounds for the inhibition of PASK | BIOENERGENIX LLC (US) | 2016-03-08 | — | — | US | disclosed |
| US-9278973-B2 | Heterocyclic compounds for the inhibition of PASK | BIOENERGENIX LLC (US) | 2016-03-08 | — | — | US | disclosed |
| US-9278973-B2 | Heterocyclic compounds for the inhibition of PASK | BIOENERGENIX LLC (US) | 2016-03-08 | — | — | US | disclosed |
| US-20150274740-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | BIOENERGENIX LLC | 2015-10-01 | — | — | US | disclosed |
| WO-2014066743-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | BIOENERGENIX (US) | 2014-05-01 | — | — | WO | disclosed |
| US-20120253039-A1 | Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | US | disclosed |
| US-8178671-B2 | Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | RIGEL PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| US-20100204160-A1 | SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-12 | — | — | US | disclosed |
| US-7582648-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2009-09-01 | — | — | US | disclosed |
| EP-2077266-A1 | 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING ACTIVITY | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-07-08 | — | — | EP | disclosed |
| US-20080312438-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | RIGEL PHARMACEUTICALS, INC. (US) | 2008-12-18 | — | — | US | disclosed |
| US-7452879-B2 | N4-(1-tert-Butoxycarbonylazetidin-3-yl)-5-fluoro-N2-(4-morpholinophenyl)-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for IgE (\"Fc epsilon RI\") and IgG (\"Fc gamma RI\") antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis | RIGEL PHARMACEUTICALS, INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20070167439-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | RIGEL PHARMACEUTICALS, INC. (US) | 2007-07-19 | — | — | US | disclosed |
| US-4282008-A | METHANOL AND/OR ETHANOL; REACTION PRODUCT OF ISATOIC ANHYDRIDE, AMINOTRIAZOLE, POLY-PRIMARY AMINE; CORROSION RESISTANCE | TEXACO INC. (US) | 1981-08-04 | — | — | US | disclosed |