SCHEMBL6704802

SCHEMBL6704802

Nc1ncc(-c2ccc(O)cc2)nc1-c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.51
ALOX5 P09917 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
JAK3 P52333 1/20 0.44
ATR Q13535 2/20 0.44
PRKDC P78527 1/20 0.44
ATM Q13315 1/20 0.44
BCHE P06276 1/20 0.44
USP7 Q93009 1/20 0.44
NEK2 P51955 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6696482 0.87 PIK3CG (0.55) PIK3CGADORA2AADORA1ATRPRKDC
SCHEMBL934795 0.81 ADORA1 (0.56) PIK3CGADORA2AADORA1ATRPRKDC
SCHEMBL6701889 0.81 ADORA1 (0.56) PIK3CGADORA2AADORA1ATRPRKDC
SCHEMBL934749 0.77 ATR (0.52) PIK3CGATRPRKDCATMBCHE
SCHEMBL2931488 0.77 NEK2 (0.64) PIK3CGATRPRKDCATMNEK2
SCHEMBL12225269 0.74 PIK3CG (0.55) PIK3CGATRPRKDCATMBCHE
SCHEMBL934746 0.72 MAPT (0.51) PIK3CGATRPRKDCATMBCHE
SCHEMBL2933169 0.72 ATR (0.63) ATRPRKDCATMNEK2
SCHEMBL2936756 0.72 ATR (0.62) ATR
SCHEMBL23064157 0.72 PIK3CG (0.54) PIK3CGATRPRKDCATMBCHE

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 4 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
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 3785/4885ALOX5 249/4885ADORA2A 480/4885

“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.