SCHEMBL6696482

SCHEMBL6696482

Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.55
BCHE P06276 1/20 0.51
ATR Q13535 3/20 0.50
PRKDC P78527 1/20 0.50
ATM Q13315 1/20 0.50
USP7 Q93009 3/20 0.47
CHEK1 O14757 1/20 0.47
NEK2 P51955 1/20 0.47
MAPK1 P28482 1/20 0.46
RIPK1 Q13546 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
AKR1B1 P15121 1/20 0.46
KCNH2 Q12809 2/20 0.46
LTA4H P09960 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 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
SCHEMBL934795 0.93 ADORA1 (0.56) PIK3CGBCHEATRPRKDCATM
SCHEMBL6701889 0.93 ADORA1 (0.56) PIK3CGBCHEATRPRKDCATM
SCHEMBL2931488 0.88 NEK2 (0.64) PIK3CGATRPRKDCATMCHEK1
SCHEMBL6704802 0.87 PIK3CG (0.51) PIK3CGBCHEATRPRKDCATM
SCHEMBL934749 0.85 ATR (0.52) PIK3CGBCHEATRPRKDCATM
SCHEMBL2936756 0.83 ATR (0.62) ATR
SCHEMBL2935581 0.81 USP7 (0.47) PIK3CGUSP7ADORA2AADORA1
SCHEMBL12225269 0.81 PIK3CG (0.55) PIK3CGBCHEATRPRKDCATM
SCHEMBL6701248 0.81 ATR (0.66) ATRPRKDC
SCHEMBL32688927 0.81 ATR (0.66) ATRPRKDC

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 6 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-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 (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-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics NOX5, NOX4, CD22 PIK3CG 3785/4885BCHE 3887/4885ATR 4853/4885

“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.