Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.56 |
| ▸ | USP7 | Q93009 | 2/20 | 0.51 |
| ▸ | CCNK | O75909 | 1/20 | 0.50 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.50 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.48 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2745386 | 0.97 | DHFR (0.59) | DHFRUSP7CCNKCDK12MAPKAPK2 | |
| Hydrochloric Acid SCHEMBL29430410 | 0.96 | DHFR (0.57) | DHFRUSP7CCNKCDK12MAPKAPK2 | |
| Hydrochloric Acid SCHEMBL4478858 | 0.96 | DHFR (0.57) | DHFRUSP7CCNKCDK12MAPKAPK2 | |
| SCHEMBL4476790 | 0.87 | PIK3CD (0.51) | DHFRUSP7CCNKCDK12MAPKAPK2 | |
| SCHEMBL29430391 | 0.87 | PIK3CD (0.51) | DHFRUSP7CCNKCDK12MAPKAPK2 | |
| SCHEMBL2068939 | 0.85 | MAPKAPK2 (0.65) | DHFRUSP7MAPKAPK2KDM4EMEN1 | |
| SCHEMBL2745360 | 0.77 | DHFR (0.59) | DHFRPIK3CDPIK3CBBRAF | |
| SCHEMBL28727101 | 0.77 | CDK2 (0.61) | CCNKCDK12MAPKAPK2FGFR1KDM4E | |
| SCHEMBL29481882 | 0.77 | CDK2 (0.61) | CCNKCDK12MAPKAPK2FGFR1KDM4E | |
| SCHEMBL29481878 | 0.77 | CDK2 (0.61) | CCNKCDK12MAPKAPK2FGFR1KDM4E |
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 | DHFR 121/4885USP7 3595/4885CCNK 2835/4885 |
| US-20120253039-A1 | Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds | SSB, TPMT, ADAR | DHFR 121/4885USP7 3595/4885CCNK 2835/4885 |
| US-20180072756-A1 | Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds | SSB, TPMT, ADAR | DHFR 121/4885USP7 3595/4885CCNK 2835/4885 |
| US-20070167439-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | SSB, TYMS, TPMT | DHFR 321/4885USP7 3472/4885CCNK 2558/4885 |
| US-20080312438-A1 | METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS | SSB, TYMS, TPMT | DHFR 321/4885USP7 3472/4885CCNK 2558/4885 |
| 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 | DHFR 676/4885USP7 3236/4885CCNK 566/4885 |
“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.