SCHEMBL946072

SCHEMBL946072

Nc1ncnc2ncn(Br)c12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.55
ADORA1 P30542 3/20 0.55
KDR P35968 6/20 0.35
PI4KA P42356 3/20 0.35
PI4K2B Q8TCG2 3/20 0.35
PI4K2A Q9BTU6 3/20 0.35
PI4KB Q9UBF8 3/20 0.35
EGFR P00533 2/20 0.35
XDH P47989 2/20 0.35
LRRK2 Q5S007 2/20 0.35
LMNA P02545 1/20 0.35
DRD3 P35462 1/20 0.35
SRC P12931 1/20 0.35
TEK Q02763 1/20 0.35
PIK3CD O00329 2/20 0.33
DNMT3A Q9Y6K1 1/20 0.33
LIMK1 P53667 1/20 0.32
RET P07949 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
SCHEMBL946620 0.77 ADORA2A (0.56) ADORA2AADORA1KDRPI4KAPI4K2B
SCHEMBL18076190 0.77 ADORA2A (0.56) ADORA2AADORA1KDRPI4KAPI4K2B
SCHEMBL15942468 0.75 ADORA2A (0.55) ADORA2AADORA1KDRPI4KAPI4K2B
SCHEMBL12699730 0.75 ADORA2A (0.55) ADORA2AADORA1KDRPI4KAPI4K2B
SCHEMBL26976 0.75 ADORA2A (0.61) ADORA2AADORA1KDRPI4KAPI4K2B
SCHEMBL1665392 0.72 ADORA2A (0.71) ADORA2AADORA1KDRPI4KAPI4K2B
SCHEMBL756635 0.71 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL31065859 0.71 ADORA2A (0.54) ADORA2AADORA1KDRPI4KAPI4K2B
SCHEMBL31060798 0.71 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1665301 0.71 ADORA2A (0.69) ADORA2AADORA1KDRPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245479-A1 Method for Generating Aptamers with Improved Off-Rates SOMALOGIC, INC. (US) 2011-10-06 US claimed
EP-2069529-A2 METHOD FOR GENERATING APTAMERS WITH IMPROVED OFF-RATES Somalogic, Inc. (US) 2009-06-17 EP claimed
WO-2009012418-A2 METHOD FOR GENERATING APTAMERS WITH IMPROVED OFF-RATES SOMALOGIC, INC. (US) 2009-01-22 WO claimed
US-20090004667-A1 METHOD FOR GENERATING APTAMERS WITH IMPROVED OFF-RATES SOMALOGIC, INC. (US) 2009-01-01 US claimed
EP-1994171-A2 MULTIPLEXED ANALYSES OF TEST SAMPLES SomaLogic, Inc. (US) 2008-11-26 EP claimed
EP-1889910-A2 Systematic evolution of ligands by exponential enrichment: photoselection of nucleic acid ligands and solution selex SomaLogic, Inc. (US) 2008-02-20 EP claimed
EP-0736105-B1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS SOMALOGIC INC (US) 2007-11-21 EP claimed
WO-2007084886-A2 MULTIPLEXED ANALYSES OF TEST SAMPLES SOMALOGIC, INCORPORATED (US) 2007-07-26 WO claimed
US-20070166740-A1 MULTIPLEXED ANALYSES OF TEST SAMPLES SOMALOGIC, INCORPORATED (US) 2007-07-19 US claimed
US-20070166741-A1 MULTIPLEXED ANALYSES OF TEST SAMPLES SOMALOGIC, INCORPORATED (US) 2007-07-19 US claimed
WO-2002077262-A2 METHOD AND APPARATUS FOR THE AUTOMATED GENERATION OF NUCLEIC ACID LIGANDS SOMALOGIC, INC. (US) 2002-10-03 WO claimed
US-20020106652-A1 Systematic evolution of ligands by exponential enrichment: photoselection of nucleic acid ligands and solution selex SOMALOGIC, INC. 2002-08-08 US claimed
EP-0739898-B1 Phosphonomonoester nucleic acids, methods for their preparation and their use AVENTIS PHARMA GMBH (DE) 2001-09-26 EP claimed
US-6001577-A SCREENING FOR LIGANDS ASSOCIATED WITH A DISEASE BY DETECTING LIGAND THAT PHOTOCROSSLINKS TO TARGET WITH PHOTOREACTIVE GROUPS FROM CANDIDATE MIXTURE, REMOVING ANY NUCLEIC ACIDS WITH AFFINITIES NOT ASSOCIATED WITH DISEASE, AND AMPLIFYING NEXSTAR PHARMACEUTICALS, INC. (US) 1999-12-14 US claimed
US-5874553-A ANTIBODIES; INHIBITOR OF GENE EXPRESSION HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-23 US claimed
EP-0736105-A4 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX UNIV RESEARCH CORP (US) 1998-10-28 EP claimed
US-5763177-A SELEX IS AN ACRONYM FOR SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT; USEFUL FOR DIAGNOSIS AND/OR TREATMENT OF DISEASES OR PATHOLOGICAL OR TOXIC STATES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-06-09 US claimed
EP-0739898-A2 Phosphonomonoester nucleic acids, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 EP claimed
EP-0736105-A1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX NeXstar Pharmaceuticals, Inc. (US) 1996-10-09 EP claimed
WO-1995008003-A1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX UNIVERSITY RESEARCH CORPORATION (US) 1995-03-23 WO claimed

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-20110245479-A1 Method for Generating Aptamers with Improved Off-Rates DDX1, DDX3X, DDX18 ADORA2A 481/4885ADORA1 913/4885KDR 643/4885

“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.