SCHEMBL408629

SCHEMBL408629

CC(C)c1cn(C(C)C)c2ncnc(N)c12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.53
TEK Q02763 9/20 0.53
LCK P06239 8/20 0.53
SRC P12931 3/20 0.53
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
PRKDC P78527 1/20 0.51
RET P07949 8/20 0.51
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
PDPK1 O15530 1/20 0.44

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
SCHEMBL25141970 0.81 PIK3CD (0.37) KDRTEKLCKSRCPIK3CD
SCHEMBL30582556 0.81 ADORA2A (0.43) KDRTEKLCKSRCPIK3CD
SCHEMBL6925128 0.81 ADORA2A (0.43) KDRTEKLCKSRCPIK3CD
SCHEMBL2618932 0.81 PIK3CD (0.52) KDRTEKLCKSRCPIK3CD
SCHEMBL22327439 0.81 KDR (0.51) KDRTEKLCKSRCPIK3CD
SCHEMBL870102 0.80 PIK3CD (0.51) KDRTEKLCKSRCPIK3CD
SCHEMBL6363939 0.80 KDR (0.53) KDRTEKLCKSRCPIK3CD
SCHEMBL24258000 0.80 PIK3CD (0.51) KDRTEKLCKSRCPIK3CD
SCHEMBL1783992 0.80 PIK3CD (0.51) KDRTEKLCKSRCPIK3CD
SCHEMBL6364419 0.80 PIK3CD (0.51) KDRTEKLCKSRCPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12031179-B2 Methods and compositions for reducing nucleotide impurities Singular Genomics Systems, Inc. (US) 2024-07-09 US disclosed
EP-4081653-B1 METHODS FOR LONG READ SEQUENCING SINGULAR GENOMICS SYSTEMS INC (US) 2024-07-03 EP disclosed
US-11913071-B2 Methods and compositions for sequencing complementary polynucleotides Singular Genomics Systems, Inc. (US) 2024-02-27 US disclosed
US-20230340592-A1 TARGETED SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2023-10-26 US disclosed
US-11788133-B2 Methods and compositions for sequencing complementary polynucleotides Singular Genomics Systems, Inc. (US) 2023-10-17 US disclosed
US-11788133-B2 Methods and compositions for sequencing complementary polynucleotides Singular Genomics Systems, Inc. (US) 2023-10-17 US disclosed
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS Singular Genomics Systems, Inc. 2023-09-21 US disclosed
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS Singular Genomics Systems, Inc. 2023-09-21 US disclosed
US-20230265505-A1 METHODS AND COMPOSITIONS FOR REDUCING NUCLEOTIDE IMPURITIES FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-24 US disclosed
US-20230265505-A1 METHODS AND COMPOSITIONS FOR REDUCING NUCLEOTIDE IMPURITIES FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-24 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-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 (7 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-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS AS3MT, SCLY, NASP KDR 4624/4885TEK 4825/4885LCK 1511/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN KDR 2089/4885TEK 3185/4885LCK 2/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN KDR 2089/4885TEK 3185/4885LCK 2/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 KDR 1295/4885TEK 1902/4885LCK 23/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN KDR 2089/4885TEK 3185/4885LCK 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 KDR 2006/4885TEK 2377/4885LCK 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 KDR 2105/4885TEK 2394/4885LCK 2/4885

“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.