SCHEMBL5155877

SCHEMBL5155877

C[C@@H](O)[C@H](N)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(N)=O)[C@@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TARS1 P26639 2/20 0.62
ADORA1 P30542 3/20 0.54
MARS1 P56192 1/20 0.53
IARS1 P41252 2/20 0.53
PRMT5 O14744 2/20 0.52
WDR77 Q9BQA1 2/20 0.52
PRKACA P17612 1/20 0.52
LARS1 Q9P2J5 2/20 0.52
DOT1L Q8TEK3 1/20 0.52
P2RY12 Q9H244 1/20 0.52

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
SCHEMBL29047905 0.88 ADORA2A (0.60)
SCHEMBL29047902 0.88 ADORA2A (0.60)
SCHEMBL2988353 0.88 P2RY12 (0.68) TARS1ADORA1P2RY12
SCHEMBL574739 0.86 P2RY1 (0.50) TARS1P2RY12
SCHEMBL17627817 0.85 PRKACA (0.56) ADORA1PRMT5WDR77PRKACAP2RY12
SCHEMBL2033392 0.85 TARS1 (0.60) TARS1ADORA1IARS1PRMT5WDR77
SCHEMBL2990348 0.83 P2RY12 (0.68) ADORA1P2RY12
SCHEMBL2056705 0.83 ADORA3 (0.60) TARS1ADORA1PRMT5WDR77DOT1L
SCHEMBL19462601 0.83 TARS1 (0.55) TARS1ADORA1MARS1IARS1PRKACA
SCHEMBL17371761 0.83 TARS1 (0.58) TARS1MARS1IARS1PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240230622-A9 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-07-11 US disclosed
US-20240133865-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-04-25 US disclosed
US-11674948-B2 Methods and systems for determining autism spectrum disorder risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2023-06-13 US disclosed
US-10890592-B2 Automated sample quality assessment METABOLON, INC. (US) 2021-01-12 US disclosed
US-20200103417-A1 BIOMARKERS RELATED TO KIDNEY FUNCTION AND METHODS USING THE SAME METABOLON, INC. 2020-04-02 US disclosed
EP-3554268-A1 COMPOSITIONS AND METHODS FOR SMALL CANINES Société des Produits Nestlé S.A. (CH) 2019-10-23 EP disclosed
US-20190310269-A1 SYSTEMS AND METHODS FOR MEASURING OBESITY USING METABOLOME ANALYSIS HUMAN LONGEVITY, INC. 2019-10-10 US disclosed
US-10405564-B2 Compositions and methods for small canines Societe des Produits Westle S.A. (CH) 2019-09-10 US disclosed
US-10254272-B2 Blood based biomarkers for diagnosing atherosclerotic coronary artery disease Global Genomics Group, LLC (US) 2019-04-09 US disclosed
US-20180348199-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2018-12-06 US disclosed
US-20180168193-A1 COMPOSITIONS AND METHODS FOR SMALL CANINES Société des Produits Nestlé S.A. (CH) 2018-06-21 US disclosed
US-20170370954-A1 Biomarkers for Fatty Liver Disease and Methods Using the Same METABOLON, INC. 2017-12-28 US disclosed
EP-2707483-B1 METHODS AND MATERIALS FOR NUCLEIC ACID MANIPULATION RWTH AACHEN UNIV (DE) 2017-10-18 EP disclosed
US-20160202239-A1 BLOOD BASED BIOMARKERS FOR DIAGNOSING ATHEROSCLEROTIC CORONARY ARTERY DISEASE Global Genomics Group, LLC 2016-07-14 US disclosed
US-20160116486-A1 BIOMARKERS RELATED TO KIDNEY FUNCTION AND METHODS USING THE SAME METABOLON, INC. 2016-04-28 US disclosed
EP-2788763-A2 BIOMARKERS FOR KIDNEY CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2014-10-15 EP disclosed
WO-2013188333-A1 BIOMARKERS RELATED TO NEPHROTOXICITY AND METHODS USING THE SAME METABOLON, INC. (US) 2013-12-19 WO disclosed
WO-2013086365-A2 BIOMARKERS FOR KIDNEY CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2013-06-13 WO disclosed
US-20120295311-A1 Methods and Materials for Nucleic Acid Manipulation BASF SE (DE) 2012-11-22 US disclosed
US-20070265223-A1 COMPOSITIONS AND METHODS OF ENHANCING SURVIVABILITY AND REDUCING INJURY OF CELLS, TISSUES, ORGANS, AND ORGANISMS UNDER HYPOXIC OR ISCHEMIC CONDITIONS IKARIA, INC. (US) 2007-11-15 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 (2 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-20070265223-A1 COMPOSITIONS AND METHODS OF ENHANCING SURVIVABILITY AND REDUCING INJURY OF CELLS, TISSUES, ORGANS, AND ORGANISMS UNDER HYPOXIC OR ISCHEMIC CONDITIONS ADORA2A, ADORA2B, ADORA1 TARS1 4822/4885ADORA1 3/4885MARS1 2194/4885
US-20160202239-A1 BLOOD BASED BIOMARKERS FOR DIAGNOSING ATHEROSCLEROTIC CORONARY ARTERY DISEASE FABP3, APOB, CAD TARS1 4172/4885ADORA1 1468/4885MARS1 4463/4885

“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.