Tofacitinib

Tofacitinib

SCHEMBL30925309

C[C@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

JAK1JAK2JAK3TYK2

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)

geneUniProtsupporting neighboursconfidence
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.

Compoundsimilaritytop predictedshared targets
Tofacitinib SCHEMBL28416782 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL1120705 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
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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260097028-A1 Methods of Treating Myeloproliferative Neoplasms KARTOS THERAPEUTICS INC (US) 2026-04-09 US disclosed
US-20250387383-A1 METHODS OF TREATING MYELOPROLIFERATIVE NEOPLASMS KARTOS THERAPEUTICS, INC. (US) 2025-12-25 US disclosed
EP-4629993-A1 METHODS OF TREATING MYELOPROLIFERATIVE NEOPLASMS Kartos Therapeutics (US) 2025-10-15 EP disclosed
US-12268681-B2 Methods of treating myeloproliferative neoplasms KARTOS THERAPEUTICS, INC. (US) 2025-04-08 US disclosed
WO-2024124240-A1 METHODS OF TREATING MYELOPROLIFERATIVE NEOPLASMS KARTOS THERAPEUTICS (US) 2024-06-13 WO 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 (3 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250387383-A1 METHODS OF TREATING MYELOPROLIFERATIVE NEOPLASMS JAK2, JAK1, MPL JAK3 21/4885JAK2 1/4885JAK1 2/4885
US-12268681-B2 Methods of treating myeloproliferative neoplasms JAK2, JAK1, PDPK1 JAK3 19/4885JAK2 1/4885JAK1 2/4885
US-20260097028-A1 Methods of Treating Myeloproliferative Neoplasms JAK2, TP53, CDKN1A JAK3 91/4885JAK2 1/4885JAK1 8/4885

“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.