SCHEMBL934795

SCHEMBL934795

Nc1ncc(-c2ccccc2)nc1-c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.56
ADORA2A P29274 2/20 0.56
ATR Q13535 10/20 0.56
PRKDC P78527 2/20 0.56
ATM Q13315 1/20 0.56
BCHE P06276 1/20 0.54
USP7 Q93009 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PIK3CG P48736 2/20 0.50
NTSR1 P30989 1/20 0.49
PIM1 P11309 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6701889 1.00 ADORA1 (0.56) ADORA1ADORA2AATRPRKDCATM
SCHEMBL6696482 0.93 PIK3CG (0.55) ADORA1ADORA2AATRPRKDCATM
SCHEMBL32688927 0.90 ATR (0.66) ATRPRKDC
SCHEMBL6701248 0.90 ATR (0.66) ATRPRKDC
SCHEMBL2931488 0.85 NEK2 (0.64) ATRPRKDCATMPIK3CG
SCHEMBL27328541 0.85 KMT2A (0.59) ADORA1ADORA2AATRPRKDCATM
SCHEMBL12198431 0.84 ATR (0.56) ADORA1ADORA2AATRPRKDCMEN1
SCHEMBL29886432 0.82 ATR (0.57) ADORA1ADORA2AATRPRKDC
SCHEMBL29886145 0.82 ATR (0.57) ADORA1ADORA2AATRPRKDC
SCHEMBL6704802 0.81 PIK3CG (0.51) ADORA1ADORA2AATRPRKDCATM

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 11 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
EP-2454261-B1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIV SIENA (IT) 2014-11-19 EP disclosed
US-8546147-B2 Imidazo[1,2-α]pyrazin-3(7H)-one derivatives bearing a new electron-rich structure UNIVERSITA DEGLI STUDI DI SIENA (IT) 2013-10-01 US disclosed
US-20120171703-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2012-07-05 US disclosed
EP-2454261-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE Universita Degli Studi di Siena (IT) 2012-05-23 EP disclosed
WO-2011007314-A1 IMIDAZO[1,2-α]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2011-01-20 WO 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 (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-20120171703-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE GLB1, NDUFV1, IK ADORA1 3839/4885ADORA2A 3380/4885ATR 4787/4885
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics NOX5, NOX4, CD22 ADORA1 1806/4885ADORA2A 480/4885ATR 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.