SCHEMBL6701547

SCHEMBL6701547

Nc1cnc(-c2ccc(O)c(O)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.51
FEN1 P39748 7/20 0.49
ALOX5AP P20292 6/20 0.49
APP P05067 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
DYRK1A Q13627 1/20 0.43
SNCA P37840 4/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL9055988 0.79 ALDH1A1 (0.53) PIK3CGFEN1ALOX5APHSD17B1HSD17B2
SCHEMBL6700757 0.79 PIK3CG (0.47) PIK3CGFEN1ALOX5APHSD17B1HSD17B2
SCHEMBL6820766 0.76 HSD17B1 (0.79) PIK3CGFEN1ALOX5APHSD17B1HSD17B2
SCHEMBL11372102 0.74 KMO (0.59) PIK3CGFEN1ALOX5APADORA1
SCHEMBL40268 0.74 NPC1 (0.51) FEN1ALOX5AP
SCHEMBL13019077 0.72 PIK3CG (0.63) PIK3CGAPPADORA2AADORA1
SCHEMBL2322762 0.71 SLC6A2 (0.49) FEN1ALOX5AP
SCHEMBL11371855 0.71 NOS3 (0.50) FEN1ALOX5AP
SCHEMBL4474224 0.71 FEN1 (0.51) FEN1ALOX5AP
SCHEMBL998308 0.71 FEN1 (0.59) FEN1ALOX5APADORA2AADORA1

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 3785/4885FEN1 4761/4885ALOX5AP 889/4885

“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.