SCHEMBL462933

SCHEMBL462933

BN1CCCC(CC#N)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.31
CTSS P25774 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL12535821 0.78 HRH3 (0.37) CTSKCTSSCTSLCTSB
SCHEMBL25785003 0.72
SCHEMBL26890222 0.72 DRD2 (0.40) CTSKCTSLCTSB
SCHEMBL2461573 0.71 ALDH1A1 (0.37) CTSKCTSSCTSLCTSB
SCHEMBL938283 0.70
SCHEMBL1437260 0.70
SCHEMBL19828346 0.69
SCHEMBL14276902 0.69 ALDH1A1 (0.39) CTSKCTSSCTSLCTSB
SCHEMBL12561223 0.68
SCHEMBL26990573 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329130-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-12-27 US disclosed
US-20120296089-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-22 US disclosed
US-20120277225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US disclosed
US-20120277255-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US disclosed
US-20120202264-A1 INHIBITORS OF IL2-INDUCIBLE T-CELL KINASE PHARMACYCLICS, INC. (US) 2012-08-09 US disclosed
US-8236812-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2012-08-07 US disclosed
US-20120184013-A1 Inhibitors of BMX non-receptor tyrosine kinase PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-12 US disclosed
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE PHARMACYCLICS, INC. (US) 2012-06-28 US disclosed
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2011-09-15 US disclosed
US-7960396-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2011-06-14 US disclosed
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-01-13 US disclosed
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-12-30 US disclosed
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. A DELAWARE CORPORATION (US) 2010-12-23 US disclosed
US-7825118-B2 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) 2010-11-02 US disclosed
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2010-10-07 US disclosed
US-7732454-B2 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) 2010-06-08 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-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 (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-20120277255-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CTSK 1439/4885CTSS 3162/4885CTSL 3695/4885
US-20120296089-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CTSK 1439/4885CTSS 3162/4885CTSL 3695/4885
US-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CTSK 1439/4885CTSS 3162/4885CTSL 3695/4885
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE BLK, DCK, LTK CTSK 577/4885CTSS 2660/4885CTSL 2160/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN CTSK 1617/4885CTSS 2653/4885CTSL 3528/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN CTSK 1617/4885CTSS 2653/4885CTSL 3528/4885
US-20120277225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CTSK 1439/4885CTSS 3162/4885CTSL 3695/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CTSK 1439/4885CTSS 3162/4885CTSL 3695/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN CTSK 1617/4885CTSS 2653/4885CTSL 3528/4885
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 CTSK 2264/4885CTSS 3607/4885CTSL 3694/4885
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CTSK 1439/4885CTSS 3162/4885CTSL 3695/4885
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 CTSK 2345/4885CTSS 3479/4885CTSL 3581/4885
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN CTSK 1673/4885CTSS 3099/4885CTSL 3458/4885

“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.