SCHEMBL6701248

SCHEMBL6701248

Nc1ncc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 16/20 0.66
TLR9 Q9NR96 1/20 0.50
PRKDC P78527 1/20 0.50

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
SCHEMBL32688927 1.00 ATR (0.66) ATRTLR9PRKDC
SCHEMBL29886432 0.91 ATR (0.57) ATRPRKDC
SCHEMBL29886145 0.91 ATR (0.57) ATRPRKDC
SCHEMBL6701889 0.90 ADORA1 (0.56) ATRPRKDC
SCHEMBL12198431 0.90 ATR (0.56) ATRPRKDC
SCHEMBL934795 0.90 ADORA1 (0.56) ATRPRKDC
SCHEMBL29886664 0.86 ATR (0.71) ATR
SCHEMBL6696565 0.86 ATR (0.57) ATRPRKDC
SCHEMBL6697532 0.86 ATR (0.57) ATRPRKDC
SCHEMBL5959065 0.85 NPC1 (0.54) ATR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics UNIVERSITY CATHOLIQUE DE LOUVAIN (BE) 2004-02-19 US claimed
EP-1292580-A1 PYRAZINE AND IMIDAZOPYRAZINE DERIVATIVES AS ANTIOXIDANTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2003-03-19 EP claimed
WO-2001087853-A1 ARYL-SUBSTITUTED N,N-HETEROCYCLIC COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN THERAPEUTICS AND DIAGNOSTICS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-11-22 WO claimed
US-20260077068-A1 ATP-INDEPENDENT BIOLUMINESCENT REPORTER VARIANTS TO IMPROVE IN VIVO IMAGING UNIV VIRGINIA PATENT FOUNDATION (US) 2026-03-19 US disclosed
US-20220259574-A1 ATP-INDEPENDENT BIOLUMINESCENT REPORTER VARIANTS TO IMPROVE IN VIVO IMAGING UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2022-08-18 US disclosed
CN-106397406-B A kind of heteroaromatic derivative and preparation method thereof and a kind of organic electroluminescence device 吉林奥来德光电材料股份有限公司 2019-06-18 CN disclosed
US-10202584-B2 Red-shifted luciferase-luciferin pairs for enhanced bioluminescence THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-12 US disclosed
US-10202584-B2 Red-shifted luciferase-luciferin pairs for enhanced bioluminescence THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-12 US disclosed
CN-105085516-B Aromatic heterocyclic derivative, preparation method thereof and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2018-07-10 CN disclosed
US-20180057801-A1 RED-SHIFTED LUCIFERASE-LUCIFERIN PAIRS FOR ENHANCED BIOLUMINESCENCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-01 US disclosed
US-20180057801-A1 RED-SHIFTED LUCIFERASE-LUCIFERIN PAIRS FOR ENHANCED BIOLUMINESCENCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-01 US disclosed
US-20180057801-A1 RED-SHIFTED LUCIFERASE-LUCIFERIN PAIRS FOR ENHANCED BIOLUMINESCENCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-01 US disclosed
CN-106397406-A Aromatic heterocyclic derivative and preparing method thereof and inorganic electroluminescence device 吉林奥来德光电材料股份有限公司 2017-02-15 CN disclosed
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics UNIVERSITY CATHOLIQUE DE LOUVAIN (BE) 2004-02-19 US disclosed
EP-1292580-A1 PYRAZINE AND IMIDAZOPYRAZINE DERIVATIVES AS ANTIOXIDANTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2003-03-19 EP disclosed
WO-2001087853-A1 ARYL-SUBSTITUTED N,N-HETEROCYCLIC COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN THERAPEUTICS AND DIAGNOSTICS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-11-22 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 (4 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-20260077068-A1 ATP-INDEPENDENT BIOLUMINESCENT REPORTER VARIANTS TO IMPROVE IN VIVO IMAGING KCNN2, KCNN1, ATP1B2 ATR 2600/4885TLR9 4846/4885PRKDC 2050/4885
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics NOX5, NOX4, CD22 ATR 4853/4885TLR9 617/4885PRKDC 3463/4885
US-20180057801-A1 RED-SHIFTED LUCIFERASE-LUCIFERIN PAIRS FOR ENHANCED BIOLUMINESCENCE LUC7L2, SCLY, GLB1 ATR 4794/4885TLR9 4790/4885PRKDC 3011/4885
US-10202584-B2 Red-shifted luciferase-luciferin pairs for enhanced bioluminescence LUC7L2, SCLY, GLB1 ATR 4794/4885TLR9 4790/4885PRKDC 3011/4885

“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.