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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.56 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.55 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.55 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.55 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.55 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.55 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.55 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.55 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.55 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.55 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.55 |
| ▸ | SYK | P43405 | 13/20 | 0.67 |
| ▸ | JAK2 | O60674 | 3/20 | 0.56 |
| ▸ | LCK | P06239 | 2/20 | 0.56 |
| ▸ | LYN | P07948 | 2/20 | 0.56 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.56 |
| ▸ | AURKA | O14965 | 5/20 | 0.55 |
| ▸ | JAK1 | P23458 | 4/20 | 0.55 |
| ▸ | JAK3 | P52333 | 4/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL2103278 | 0.96 | SYK (0.69) | SYKJAK2EGFRLCKLYN | |
| Hydrochloric Acid SCHEMBL2100858 | 0.95 | SYK (0.68) | SYKJAK2EGFRLCKLYN | |
| SCHEMBL2103810 | 0.93 | ADORA3 (0.65) | SYKJAK2EGFRLCKLYN | |
| SCHEMBL2104040 | 0.92 | SYK (0.60) | SYKJAK2EGFRLCKLYN | |
| SCHEMBL2102163 | 0.89 | SYK (0.63) | SYKJAK2EGFRLCKLYN | |
| SCHEMBL2101538 | 0.87 | SYK (0.69) | SYKJAK2EGFRLCKLYN | |
| SCHEMBL14837327 | 0.85 | SYK (0.74) | SYKJAK2EGFRLCKLYN | |
| SCHEMBL2105664 | 0.85 | SYK (0.73) | SYKJAK2EGFRLCKLYN | |
| SCHEMBL2103919 | 0.85 | SYK (0.66) | SYKJAK2EGFRLCKLYN | |
| SCHEMBL2103190 | 0.84 | SYK (0.72) | SYKJAK2EGFRLCKLYN |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120230984-A1 | Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2012-09-13 | — | — | US | claimed |
| US-8557806-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2013-10-15 | — | — | US | disclosed |
| US-8158621-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2012-04-17 | — | — | US | disclosed |
| US-7825116-B2 | -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis | RIGEL PHARMACEUTICALS, INC. (US) | 2010-11-02 | — | — | US | disclosed |
| US-7812029-B1 | such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis | RIGEL PHARMACEUTICALS, INC. (US) | 2010-10-12 | — | — | US | disclosed |
| US-7517886-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2009-04-14 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120230984-A1 | Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds | SSB, TYMS, TPMT | EGFR 3376/4885PIK3CD 4371/4885ROCK2 4364/4885 |
“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.