SCHEMBL410178

SCHEMBL410178

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

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.91
NUDT14 O95848 2/20 0.69
NUDT5 Q9UKK9 2/20 0.69
EGFR P00533 4/20 0.68
TEC P42680 3/20 0.67
BMX P51813 3/20 0.67
LYN P07948 3/20 0.67
LCK P06239 3/20 0.67
TXK P42681 2/20 0.67
FGFR2 P21802 2/20 0.67
ITK Q08881 2/20 0.67
SRC P12931 2/20 0.67
KDR P35968 2/20 0.67
RIPK2 O43353 1/20 0.67
NR1I2 O75469 1/20 0.67
SLC22A3 O75751 1/20 0.67
LATS1 O95835 1/20 0.67
ABL1 P00519 1/20 0.67
ERBB2 P04626 1/20 0.67
FYN P06241 1/20 0.67

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
SCHEMBL200315 0.95 BTK (1.00) BTKNUDT14NUDT5EGFRTEC
SCHEMBL15851231 0.95 BTK (1.00) BTKNUDT14NUDT5EGFRTEC
SCHEMBL410045 0.95 BTK (0.81) BTKNUDT14NUDT5EGFRTEC
SCHEMBL17852269 0.90 BTK (0.74) BTKNUDT14NUDT5EGFRTEC
SCHEMBL17065613 0.89 BTK (0.78) BTKNUDT14NUDT5EGFRTEC
SCHEMBL19813117 0.89 BTK (0.92) BTKNUDT14NUDT5EGFRLYN
SCHEMBL30610156 0.89 BTK (0.92) BTKNUDT14NUDT5EGFRLYN
SCHEMBL17951517 0.89 BTK (0.92) BTKNUDT14NUDT5EGFRLYN
SCHEMBL28519810 0.85 BTK (0.88) BTKNUDT14NUDT5EGFRTEC
SCHEMBL17951803 0.85 BTK (0.88) BTKNUDT14NUDT5EGFRTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (8 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 1/4885NUDT14 3327/4885NUDT5 4024/4885
US-20230248730-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, LYN, SYK BTK 1/4885NUDT14 2362/4885NUDT5 2844/4885
US-11672803-B2 Use of inhibitors of Brutons tyrosine kinase (Btk) BTK, LYN, SYK BTK 1/4885NUDT14 2362/4885NUDT5 2844/4885
US-20230100137-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE FCGR3B, BTK, IGLV6-57 BTK 2/4885NUDT14 4609/4885NUDT5 4705/4885
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 1/4885NUDT14 2652/4885NUDT5 2077/4885
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 1/4885NUDT14 1601/4885NUDT5 1941/4885
US-20230293532-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, LYN, SYK BTK 1/4885NUDT14 2362/4885NUDT5 2844/4885
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 1/4885NUDT14 1559/4885NUDT5 1858/4885

“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.