Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tofacitinib. 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 | |
|---|---|---|---|---|
| ▸ | JAK3 known ✓ | P52333 | 19/20 | 1.00 |
| ▸ | JAK2 known ✓ | O60674 | 12/20 | 1.00 |
| ▸ | JAK1 known ✓ | P23458 | 11/20 | 1.00 |
| ▸ | TYK2 known ✓ | P29597 | 6/20 | 1.00 |
| ▸ | PKN2 | Q16513 | 4/20 | 1.00 |
| ▸ | ROCK2 | O75116 | 3/20 | 1.00 |
| ▸ | PRKCD | Q05655 | 3/20 | 1.00 |
| ▸ | STK3 | Q13188 | 3/20 | 1.00 |
| ▸ | ROCK1 | Q13464 | 3/20 | 1.00 |
| ▸ | CAMK2D | Q13557 | 3/20 | 1.00 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 1.00 |
| ▸ | MARK3 | P27448 | 2/20 | 1.00 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 1.00 |
| ▸ | DCLK1 | O15075 | 2/20 | 1.00 |
| ▸ | ABL1 | P00519 | 2/20 | 1.00 |
| ▸ | LCK | P06239 | 2/20 | 1.00 |
| ▸ | FYN | P06241 | 2/20 | 1.00 |
| ▸ | RET | P07949 | 2/20 | 1.00 |
| ▸ | DMPK | Q09013 | 2/20 | 1.00 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Tofacitinib SCHEMBL28416782 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL29351183 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL29816283 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL23199919 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL11949309 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tasocitinib SCHEMBL23058868 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL322753 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tasocitinib SCHEMBL30341861 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL30925309 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL25703953 | 0.95 | JAK3 (0.91) | JAK3JAK2JAK1TYK2PKN2 |
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 172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9050342-B2 | Beneficial effects of combination therapy on cholesterol | PFIZER INC. (US) | 2015-06-09 | — | — | US | claimed |
| US-20120252825-A1 | BENEFICIAL EFFECTS OF COMBINATION THERAPY ON CHOLESTEROL | PFIZER INC. (US) | 2012-10-04 | — | — | US | claimed |
| EP-1666481-B1 | 3-((3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidinyl)-3-oxo-propionitrile as protein kinase inhibitor | PFIZER PROD INC (US) | 2012-09-19 | — | — | EP | claimed |
| US-7842699-B2 | Pyrrolo[2,3-D]pyrimidine compounds | PFIZER INC. (US) | 2010-11-30 | — | — | US | claimed |
| US-RE41783-E1 | Immunosuppressants; organ transplant; CP 690550 which is 3-(4-Methyl-3-(methyl-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-amino)-piperidin-1-yl)-3-oxo-propionitrile; inhibitors of the enzyme protein kinases such as Janus Kinase 3 | PFIZER INC. (US) | 2010-09-28 | — | — | US | claimed |
| US-20100035903-A1 | PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS | BLUMENKOPF TODD A | 2010-02-11 | — | — | US | claimed |
| US-7601727-B2 | Pyrrolo[2,3-d]pyrimidine compounds | PFIZER, INC. (US) | 2009-10-13 | — | — | US | claimed |
| WO-2008029237-A2 | COMBINATION THERAPIES FOR RHEUMATOID ARTHRITIS | PFIZER PRODUCTS INC. (US) | 2008-03-13 | — | — | WO | claimed |
| US-20070292430-A1 | PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS | BLUMENKOPF TODD A | 2007-12-20 | — | — | US | claimed |
| EP-1382339-B1 | Compositions containing pyrrolo ¬2,3-d pyrimidine derivatives | PFIZER PROD INC (US) | 2007-12-05 | — | — | EP | claimed |
| US-20040053947-A1 | Pyrrolo[2,3-D]pyrimidine compounds | PFIZER INC. | 2004-03-18 | — | — | US | claimed |
| EP-1382339-A1 | Compositions containing pyrrolo [2,3-d] pyrimidine derivatives | Pfizer Products Inc. (US) | 2004-01-21 | — | — | EP | claimed |
| EP-1235830-B1 | PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS PROTEIN KINASES INHIBITORS | PFIZER PROD INC (US) | 2004-01-02 | — | — | EP | claimed |
| US-6627754-B2 | Immunosuppressants; organ transplant; CP 690550 which is 3-(4-Methyl-3-(methyl-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-amino)-piperidin-1-yl)-3-oxo-propionitrile | PFIZER INC. | 2003-09-30 | — | — | US | claimed |
| US-20030130292-A1 | Novel crystalline compound | PFIZER INC. | 2003-07-10 | — | — | US | claimed |
| WO-2003048162-A1 | NOVEL CRYSTALLINE COMPOUND | PFIZER PRODUCTS INC. (US) | 2003-06-12 | — | — | WO | claimed |
| CN-1409712-A | Pyrrolo [2, 3-d ] pyrimidine compounds | PFIZER PROD INC (US) | 2003-04-09 | — | — | CN | claimed |
| EP-1235830-A2 | PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS | Pfizer Products Inc. (US) | 2002-09-04 | — | — | EP | claimed |
| US-20010053782-A1 | Immunosuppressants; organ transplant | BLUMENKOPF TODD A (US) | 2001-12-20 | — | — | US | claimed |
| WO-2001042246-A2 | PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS | PFIZER PRODUCTS INC. (US) | 2001-06-14 | — | — | WO | claimed |
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-20100035903-A1 | PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS | JAK3, JAK1, PDXK | JAK3 1/4885JAK2 5/4885JAK1 2/4885 |
| US-20040053947-A1 | Pyrrolo[2,3-D]pyrimidine compounds | JAK1, JAK3, TPMT | JAK3 2/4885JAK2 8/4885JAK1 1/4885 |
| US-20070292430-A1 | PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS | JAK3, JAK1, PDXK | JAK3 1/4885JAK2 5/4885JAK1 2/4885 |
| US-20120252825-A1 | BENEFICIAL EFFECTS OF COMBINATION THERAPY ON CHOLESTEROL | HMGCR, LDLR, PCSK9 | JAK3 102/4885JAK2 87/4885JAK1 48/4885 |
| US-20010053782-A1 | Immunosuppressants; organ transplant | JAK1, JAK3, TPMT | JAK3 2/4885JAK2 14/4885JAK1 1/4885 |
| US-20030130292-A1 | Novel crystalline compound | ACP1, PACSIN2, PLK4 | JAK3 1054/4885JAK2 1328/4885JAK1 959/4885 |
“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.