SCHEMBL462928

SCHEMBL462928

BN1CCCC(c2nc(I)c3c(=O)[nH]cnn23)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL400584 0.85 CCNE1 (0.34) PDE2APOLB
SCHEMBL25171838 0.85 CCNE1 (0.36) PDE2APOLB
SCHEMBL594547 0.84 CCNE1 (0.39) PDE2APOLB
SCHEMBL461423 0.76 PDE9A (0.33)
SCHEMBL594068 0.70 TNK2 (0.42)
SCHEMBL14536936 0.70 PDE5A (0.43) PDE2APOLB
SCHEMBL13218218 0.68 BRD4 (0.31)
SCHEMBL14536967 0.67 PDE5A (0.39) PDE2A
SCHEMBL13201567 0.65 PDE2A (0.38) PDE2A
SCHEMBL19476925 0.63 NR1H2 (0.36)

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 17 patents. 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-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-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-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-03-15 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-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-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 (12 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 PDE2A 2287/4885POLB 1891/4885
US-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PDE2A 2287/4885POLB 1891/4885
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE BLK, DCK, LTK PDE2A 3496/4885POLB 1702/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN PDE2A 1629/4885POLB 1618/4885
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PDE2A 2287/4885POLB 1891/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN PDE2A 1629/4885POLB 1618/4885
US-20120277225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PDE2A 2287/4885POLB 1891/4885
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 PDE2A 1569/4885POLB 1526/4885
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PDE2A 2287/4885POLB 1891/4885
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 PDE2A 1619/4885POLB 1568/4885
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN PDE2A 2302/4885POLB 1803/4885
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PDE2A 2287/4885POLB 1891/4885

“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.