SCHEMBL2237698

SCHEMBL2237698

COc1ccc(C(OC(C(=O)c2ccccc2)[C@H]2O[C@@H](n3c(Br)nc4c(N)ncnc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.38
ADORA2A P29274 5/20 0.38
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
TRPM2 O94759 1/20 0.36
SLC28A2 O43868 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
NADK O95544 1/20 0.34
ADORA1 P30542 3/20 0.34
ADORA2B P29275 2/20 0.34
RAPGEF3 O95398 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSPA5 P11021 1/20 0.33

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
SCHEMBL2989054 0.89 ADORA3 (0.33) ADORA3ADORA2APDE4APDE4BPDE4C
SCHEMBL5348155 0.86 CHKA (0.42) ADORA1
SCHEMBL8718545 0.81 ADORA3 (0.48) ADORA3ADORA2ATRPM2SLC28A2NADK
SCHEMBL6390181 0.77 DCK (0.36) MAPT
SCHEMBL5200171 0.77 POLB (0.40) LMNAMAPT
SCHEMBL16401776 0.76 TYMP (0.42) ADORA1
SCHEMBL6911080 0.74 SLC29A1 (0.44) ADORA3ADORA1TSHR
SCHEMBL17599855 0.74 NT5E (0.49) ADORA3ADORA1ADORA2B
SCHEMBL10690523 0.74 ADORA3 (0.50) ADORA3ADORA1ADORA2BHIF1A
SCHEMBL6710679 0.74 TYMP (0.43) ADORA3ADORA2ATRPM2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758995-B2 Solid phase sequencing of biopolymers SEQUENOM, INC. (US) 2014-06-24 US disclosed
US-20110172111-A1 SOLID PHASE SEQUENCING OF BIOPOLYMERS SEQUENOM, INC. (US) 2011-07-14 US disclosed
US-7803529-B1 Solid phase sequencing of biopolymers SEQUENOM, INC. (US) 2010-09-28 US disclosed
US-7771929-B2 Tag library compounds, compositions, kits and methods of use MONOGRAM BIOSCIENCES, INC. (US) 2010-08-10 US disclosed
US-20060063193-A1 Solid phase sequencing of double-stranded nucleic acids TRUSTEES OF BOSTON UNIVERSITY, THE 2006-03-23 US disclosed
US-6991903-B2 Solid phase sequencing of double-stranded nucleic acids SEQUENOM, INC. (US) 2006-01-31 US disclosed
US-20050053939-A1 Methods and compositions for enhancing detection in determinations employing cleavable electrophoretic tag reagents MONOGRAM BIOSCIENCES, INC. 2005-03-10 US disclosed
US-20040265858-A1 Sets of generalized target-binding e-tag probes SINGH SHARAT 2004-12-30 US disclosed
US-20040197815-A1 Methods for detecting aggregations of proteins SINGH SHARAT (US) 2004-10-07 US disclosed
US-20040166529-A1 Sets of generalized target-binding e-tag probes SINGH SHARAT (US) 2004-08-26 US disclosed
US-20020015954-A1 Sets of oligonucleotide-binding e-tag probes MONOGRAM BIOSCIENCES, INC. 2002-02-07 US disclosed
US-20020009737-A1 Kits employing oligonucleotide-binding e-tag probes MONOGRAM BIOSCIENCES, INC. 2002-01-24 US disclosed
US-20020001808-A1 Methods employing oligonucleotide-binding e-tag probes MONOGRAM BIOSCIENCES, INC. 2002-01-03 US disclosed
US-20010051340-A1 Kits employing generalized target-binding e-tag probes MONOGRAM BIOSCIENCES, INC. 2001-12-13 US disclosed
US-6238871-B1 HIGH SPEED; HIGH THROUGHPUT; NO REQUIRED ELECTROPHORESIS; SANGER SEQUENCING STRATEGY, THEN DETERMINING SEQUENCE BY ALIGNING TERMINATED FRAGMENTS ACCORDING TO MOLECULAR WEIGHT SEQUENOM, INC. 2001-05-29 US disclosed
US-6225450-B1 INTACT POSITIVELY CHARGED IONIZED MASS-MODIFIED NUCLEIC ACID MOLECULE SEQUENOM, INC. 2001-05-01 US disclosed
US-6194144-B1 GENERATING TWO TERMINATED NUCLEIC ACIDS; DETERMINATION MOLECULAR WEIGHT; CALIBRATION SEQUENOM, INC. 2001-02-27 US disclosed
WO-1997037041-A9 DNA SEQUENCING BY MASS SPECTROMETRY 1997-12-31 WO disclosed
EP-0679196-A1 DNA SEQUENCING BY MASS SPECTROMETRY SEQUENOM, INC. (US) 1995-11-02 EP disclosed
WO-1994016101-A2 DNA SEQUENCING BY MASS SPECTROMETRY KOESTER HUBERT (US) 1994-07-21 WO 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 (1 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-20040197815-A1 Methods for detecting aggregations of proteins SNRPE, PEBP1, PHAX ADORA3 3648/4885ADORA2A 3716/4885PDE4A 3096/4885

“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.