Ibrutinib

Ibrutinib

SCHEMBL201642

C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BTK

The experimentally established mechanism targets of Ibrutinib. 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
BTK known ✓ Q06187 14/20 1.00
EGFR P00533 9/20 1.00
BMX P51813 5/20 1.00
ITK Q08881 4/20 1.00
TEC P42680 3/20 1.00
HCK P08631 3/20 1.00
SRC P12931 3/20 1.00
BLK P51451 3/20 1.00
TXK P42681 2/20 1.00
LYN P07948 2/20 1.00
FGFR2 P21802 2/20 1.00
NUDT5 Q9UKK9 2/20 1.00
JAK3 P52333 2/20 1.00
RIPK2 O43353 1/20 1.00
NR1I2 O75469 1/20 1.00
SLC22A3 O75751 1/20 1.00
LATS1 O95835 1/20 1.00
NUDT14 O95848 1/20 1.00
ABL1 P00519 1/20 1.00
ERBB2 P04626 1/20 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
Ibrutinib SCHEMBL201641 1.00 BTK (1.00) BTKEGFRBMXITKTEC
Ibrutinib SCHEMBL2244870 1.00 BTK (1.00) BTKEGFRBMXITKTEC
Ibrutinib SCHEMBL201859 1.00 BTK (1.00) BTKEGFRBMXITKTEC
Ibrutinib SCHEMBL2244865 1.00 BTK (1.00) BTKEGFRBMXITKTEC
SCHEMBL21428758 0.98 BTK (0.95) BTKEGFRBMXITKTEC
SCHEMBL200391 0.95 BTK (1.00) BTKEGFRBMXITKTEC
SCHEMBL200392 0.95 BTK (1.00) BTKEGFRBMXITKTEC
SCHEMBL201548 0.95 BTK (1.00) BTKEGFRBMXITKTEC
Ibrutinib SCHEMBL16887867 0.95 BTK (0.93) BTKEGFRBMXITKTEC
SCHEMBL1613606 0.93 EGFR (0.90) BTKEGFRBMXITKTEC

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 1570 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4729054-A1 CRYSTALLINE FORMS OF A BRUTON'S TYROSINE KINASE INHIBITOR Pharmacyclics LLC (US) 2026-04-22 EP claimed
EP-4203942-B1 IBRUTINIB FOR USE IN TREATING COCAINE USE DISORDER AND RELATED CONDITIONS UNIV EMORY (US) 2026-04-15 EP claimed
US-20260062417-A1 CRYSTALLINE FORMS OF A BRUTONS TYROSINE KINASE INHIBITOR PHARMACYCLICS LLC (US) 2026-03-05 US claimed
EP-2854859-B1 CRYSTALLINE FORMS OF A BRUTON'S TYROSINE KINASE INHIBITOR PHARMACYCLICS LLC (US) 2026-02-25 EP claimed
US-20250197404-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2025-06-19 US claimed
US-20250127781-A1 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) PHARMACYCLICS, INC. 2025-04-24 US claimed
US-20240409545-A1 CRYSTALLINE FORMS OF A BRUTON'S TYROSINE KINASE INHIBITOR PHARMACYCLICS LLC (US) 2024-12-12 US claimed
CN-118161618-A Combination product comprising a Bcl-2 inhibitor or a Bcl-2/Bcl-xL inhibitor and use thereof 苏州亚盛药业有限公司 2024-06-11 CN claimed
US-20240158400-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR PHARMACYCLICS LLC (US) 2024-05-16 US claimed
US-20240065971-A1 METHODS OF TREATING ABC-DLBCL USING INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2024-02-29 US claimed
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-02-18 US claimed
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-28 US claimed
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-07 US claimed
EP-2081435-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, Inc. (US) 2009-07-29 EP claimed
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS, INC. (US) 2009-07-16 US claimed
US-7514444-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2009-04-07 US claimed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 US claimed
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told PHARMACYCLICS, INC. (US) 2008-05-08 US claimed
WO-2008039218-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2008-04-03 WO claimed
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-03-27 US 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 (13 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-20260062417-A1 CRYSTALLINE FORMS OF A BRUTONS TYROSINE KINASE INHIBITOR BTK, SYK, LYN BTK 1/4885EGFR 261/4885BMX 34/4885
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885BMX 11/4885
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885BMX 11/4885
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885BMX 11/4885
US-20240065971-A1 METHODS OF TREATING ABC-DLBCL USING INHIBITORS OF BRUTONS TYROSINE KINASE BTK, BCL6, BCL6B BTK 1/4885EGFR 1443/4885BMX 19/4885
US-20240409545-A1 CRYSTALLINE FORMS OF A BRUTON'S TYROSINE KINASE INHIBITOR BTK, SYK, LCK BTK 1/4885EGFR 745/4885BMX 29/4885
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 728/4885BMX 11/4885
US-20240158400-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR BTK, ABL1, LYN BTK 1/4885EGFR 846/4885BMX 22/4885
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told BTK, LCK, LYN BTK 1/4885EGFR 703/4885BMX 23/4885
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents BTK, LCK, LYN BTK 1/4885EGFR 1536/4885BMX 35/4885
US-20250127781-A1 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) BTK, LYN, SYK BTK 1/4885EGFR 1644/4885BMX 18/4885
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents BTK, LCK, LYN BTK 1/4885EGFR 1550/4885BMX 32/4885
US-20250197404-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR BTK, ABL1, LYN BTK 1/4885EGFR 833/4885BMX 21/4885

“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.