SCHEMBL408564

SCHEMBL408564

C=CC(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 1.00
EGFR P00533 6/20 1.00
LCK P06239 5/20 1.00
JAK3 P52333 5/20 1.00
ITK Q08881 5/20 1.00
ABL1 P00519 1/20 0.61
ERBB2 P04626 1/20 0.61
FYN P06241 1/20 0.61
YES1 P07947 1/20 0.61
LYN P07948 1/20 0.61
HCK P08631 1/20 0.61
FGR P09769 1/20 0.61
SRC P12931 1/20 0.61
FER P16591 1/20 0.61
CSK P41240 1/20 0.61
TEC P42680 1/20 0.61
BLK P51451 1/20 0.61
BMX P51813 1/20 0.61
PTK6 Q13882 1/20 0.61
ERBB4 Q15303 1/20 0.61

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
SCHEMBL410068 0.90 BTK (0.82) BTKEGFRLCKJAK3ITK
SCHEMBL15517319 0.90 BTK (0.81) BTKEGFRLCKJAK3ITK
SCHEMBL17090646 0.89 BTK (0.80) BTKEGFRLCKJAK3ITK
SCHEMBL14617791 0.88 BTK (0.78) BTKEGFRLCKJAK3ITK
SCHEMBL16231133 0.86 BTK (0.76) BTKEGFRLCKJAK3ITK
SCHEMBL409226 0.86 BTK (0.76) BTKEGFRLCKJAK3ITK
SCHEMBL14643776 0.86 BTK (0.76) BTKEGFRLCKJAK3ITK
SCHEMBL14617765 0.86 BTK (0.76) BTKEGFRLCKJAK3ITK
SCHEMBL409224 0.86 BTK (0.75) BTKEGFRLCKJAK3ITK
SCHEMBL14643716 0.85 BTK (0.75) BTKEGFRLCKJAK3ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152115-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-04 US claimed
US-20130018060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 US claimed
US-20120277225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US claimed
US-20120277255-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US claimed
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-03-15 US claimed
EP-2201840-B1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS INC (US) 2011-11-02 EP claimed
EP-2201840-A1 Inhibitors of Bruton's Tyrosine Kinase Pharmacyclics, Inc. (US) 2010-06-30 EP claimed
CN-101674834-A Bruton's tyrosine kinase inhibitor PHARMACYCLICS INC 2010-03-17 CN claimed
US-20260041685-A1 METHODS OF TREATING INDOLENT SYSTEMIC MASTOCYTOSIS TELIOS PHARMA INC. (US) 2026-02-12 US disclosed
US-20250360130-A1 METHODS OF TREATING INDOLENT SYSTEMIC MASTOCYTOSIS TELIOS PHARMA INC. (US) 2025-11-27 US disclosed
US-12414950-B1 Methods of treating indolent systemic mastocytosis TELIOS PHARMA INC. (US) 2025-09-16 US disclosed
US-20250064805-A1 Methods of Treating Myeloproliferative Disorders Based on BTK Occupancy & Resynthesis Rate TELIOS PHARMA INC. (US) 2025-02-27 US disclosed
US-20240317756-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2024-09-26 US disclosed
US-20240293403-A1 Treatment of Symptoms Associated with Myeloproliferative Neoplasms TELIOS PHARMA, INC. (US) 2024-09-05 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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 (14 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-20120277255-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 697/4885LCK 23/4885
US-20260041685-A1 METHODS OF TREATING INDOLENT SYSTEMIC MASTOCYTOSIS BTK, KIT, LYN BTK 1/4885EGFR 262/4885LCK 10/4885
US-20240293403-A1 Treatment of Symptoms Associated with Myeloproliferative Neoplasms ABL1, BTK, JAK2 BTK 2/4885EGFR 553/4885LCK 13/4885
US-12414950-B1 Methods of treating indolent systemic mastocytosis BTK, LYN, ABL1 BTK 1/4885EGFR 935/4885LCK 5/4885
US-20240317756-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 697/4885LCK 23/4885
US-20120277225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 697/4885LCK 23/4885
US-20150152115-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 697/4885LCK 23/4885
US-20130018060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 697/4885LCK 23/4885
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 703/4885LCK 2/4885
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 1536/4885LCK 2/4885
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 1550/4885LCK 2/4885
US-20250360130-A1 METHODS OF TREATING INDOLENT SYSTEMIC MASTOCYTOSIS BTK, LYN, ABL1 BTK 1/4885EGFR 935/4885LCK 5/4885
US-20250064805-A1 Methods of Treating Myeloproliferative Disorders Based on BTK Occupancy & Resynthesis Rate BTK, ABL1, MPL BTK 1/4885EGFR 489/4885LCK 8/4885
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 697/4885LCK 23/4885

“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.