Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 2/20 | 0.51 |
| ▸ | PIK3CA known ✓ | P42336 | 2/20 | 0.51 |
| ▸ | PIK3CB known ✓ | P42338 | 2/20 | 0.51 |
| ▸ | PIK3CG known ✓ | P48736 | 2/20 | 0.51 |
| ▸ | USP7 | Q93009 | 2/20 | 0.51 |
| ▸ | DHFR | P00374 | 4/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 5/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.45 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.45 |
| ▸ | CCNK | O75909 | 1/20 | 0.44 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29430391 | 1.00 | PIK3CD (0.51) | PIK3CDPIK3CAPIK3CBPIK3CGUSP7 | |
| SCHEMBL2745386 | 0.90 | DHFR (0.59) | PIK3CDPIK3CBUSP7DHFRFGFR1 | |
| Hydrochloric Acid SCHEMBL29430410 | 0.88 | DHFR (0.57) | PIK3CDPIK3CBUSP7DHFRFGFR1 | |
| Hydrochloric Acid SCHEMBL4478858 | 0.88 | DHFR (0.57) | PIK3CDPIK3CBUSP7DHFRFGFR1 | |
| Hydrochloric Acid SCHEMBL4478855 | 0.87 | DHFR (0.56) | PIK3CDPIK3CBUSP7DHFRFGFR1 | |
| SCHEMBL2068939 | 0.79 | MAPKAPK2 (0.65) | USP7DHFRMAPKAPK2 | |
| SCHEMBL4398342 | 0.72 | FGFR1 (0.49) | PIK3CDPIK3CAPIK3CBPIK3CGUSP7 | |
| SCHEMBL1687286 | 0.72 | FGFR1 (0.39) | PIK3CDPIK3CAPIK3CBPIK3CGUSP7 | |
| SCHEMBL12612183 | 0.71 | DHFR (0.56) | USP7DHFRFGFR1FGFR3LCK | |
| SCHEMBL1388616 | 0.71 | DHFR (0.63) | PIK3CDPIK3CAPIK3CBPIK3CGDHFR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10259826-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2019-04-16 | — | — | US | disclosed |
| US-20180072756-A1 | Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2018-03-15 | — | — | US | 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-7582648-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2009-09-01 | — | — | US | 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-20050234049-A1 | 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 | MIDCAP FINANCIAL TRUST | 2005-10-20 | — | — | US | 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 (6 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10259826-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | SSB, TPMT, ADAR | PIK3CD 4285/4885PIK3CA 3886/4885PIK3CB 3691/4885 |
| US-20120253039-A1 | Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds | SSB, TPMT, ADAR | PIK3CD 4285/4885PIK3CA 3886/4885PIK3CB 3691/4885 |
| US-20180072756-A1 | Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds | SSB, TPMT, ADAR | PIK3CD 4285/4885PIK3CA 3886/4885PIK3CB 3691/4885 |
| US-20070167439-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | SSB, TYMS, TPMT | PIK3CD 4371/4885PIK3CA 3732/4885PIK3CB 3692/4885 |
| US-20080312438-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | SSB, TYMS, TPMT | PIK3CD 4371/4885PIK3CA 3732/4885PIK3CB 3692/4885 |
| US-20050234049-A1 | 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 | SSB, HRH4, TLR7 | PIK3CD 4520/4885PIK3CA 3728/4885PIK3CB 3855/4885 |
“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.