SCHEMBL408535

SCHEMBL408535

CN(C)C/C=C/C(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.93
EGFR P00533 11/20 0.93
ITK Q08881 6/20 0.91
LCK P06239 5/20 0.91
FLT3 P36888 2/20 0.71
KIT P10721 1/20 0.71
JAK3 P52333 2/20 0.70
TEC P42680 3/20 0.69
BMX P51813 3/20 0.69
TXK P42681 2/20 0.69
LYN P07948 2/20 0.69
FGFR2 P21802 2/20 0.69
RIPK2 O43353 1/20 0.69
NR1I2 O75469 1/20 0.69
SLC22A3 O75751 1/20 0.69
LATS1 O95835 1/20 0.69
NUDT14 O95848 1/20 0.69
ABL1 P00519 1/20 0.69
ERBB2 P04626 1/20 0.69
FYN P06241 1/20 0.69

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
SCHEMBL722563 1.00 BTK (0.93) BTKEGFRITKLCKFLT3
SCHEMBL722562 1.00 BTK (0.93) BTKEGFRITKLCKFLT3
SCHEMBL721767 1.00 BTK (0.93) BTKEGFRITKLCKFLT3
SCHEMBL202459 0.96 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL203607 0.96 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL15488805 0.96 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL19360226 0.96 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL441377 0.95 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL410214 0.95 BTK (1.00) BTKEGFRITKLCKFLT3
SCHEMBL14575750 0.95 BTK (0.84) BTKEGFRITKLCKFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232280-B2 Inhibitors of bruton'S tyrosine kinase PHARMACYCLICS, INC. (US) 2012-07-31 US claimed
US-20110184001-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-07-28 US claimed
US-20240065971-A1 METHODS OF TREATING ABC-DLBCL USING INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2024-02-29 US disclosed
US-20240065971-A1 METHODS OF TREATING ABC-DLBCL USING INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2024-02-29 US disclosed
US-20230293532-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) PHARMACYCLICS LLC (US) 2023-09-21 US disclosed
US-20230293532-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) PHARMACYCLICS LLC (US) 2023-09-21 US disclosed
US-20230248730-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) PHARMACYCLICS LLC (US) 2023-08-10 US disclosed
US-20230248730-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) PHARMACYCLICS LLC (US) 2023-08-10 US disclosed
US-11672803-B2 Use of inhibitors of Brutons tyrosine kinase (Btk) PHARMACYCLICS LLC (US) 2023-06-13 US disclosed
US-11672803-B2 Use of inhibitors of Brutons tyrosine kinase (Btk) PHARMACYCLICS LLC (US) 2023-06-13 US disclosed
US-20230100137-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE PHARMACYCLICS LLC (US) 2023-03-30 US disclosed
US-7514444-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2009-04-07 US disclosed
US-7514444-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2009-04-07 US disclosed
WO-2008121742-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2008-10-09 WO 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 (9 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-20240065971-A1 METHODS OF TREATING ABC-DLBCL USING INHIBITORS OF BRUTONS TYROSINE KINASE BTK, BCL6, BCL6B BTK 1/4885EGFR 1443/4885ITK 395/4885
US-20230248730-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, LYN, SYK BTK 1/4885EGFR 985/4885ITK 328/4885
US-11672803-B2 Use of inhibitors of Brutons tyrosine kinase (Btk) BTK, LYN, SYK BTK 1/4885EGFR 985/4885ITK 328/4885
US-20230100137-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE FCGR3B, BTK, IGLV6-57 BTK 2/4885EGFR 1605/4885ITK 748/4885
US-20110184001-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885ITK 135/4885
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 703/4885ITK 72/4885
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 1536/4885ITK 100/4885
US-20230293532-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, LYN, SYK BTK 1/4885EGFR 985/4885ITK 328/4885
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 1550/4885ITK 115/4885

“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.