SCHEMBL6700344

SCHEMBL6700344

COc1ccc(-c2cnc(N)c(-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.54
KMT2A Q03164 1/20 0.54
NEK2 P51955 5/20 0.53
PRKDC P78527 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NOS1 P29475 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DYRK1A Q13627 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SYK P43405 1/20 0.47
ADORA1 P30542 1/20 0.46

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
SCHEMBL6696565 0.94 ATR (0.57) ATRKMT2ANEK2PRKDCNPC1
SCHEMBL6697532 0.94 ATR (0.57) ATRKMT2ANEK2PRKDCNPC1
SCHEMBL934180 0.82 ATR (0.51) ATRKMT2ANEK2PRKDCNPC1
SCHEMBL5959065 0.81 NPC1 (0.54) ATRNEK2NPC1RAB9AALDH1A1
SCHEMBL11907360 0.80 ATR (0.70) ATRNEK2PRKDC
SCHEMBL935105 0.80 MAPT (0.50) ATRKMT2ANEK2PRKDCNPC1
SCHEMBL13067556 0.80 HEXA (0.55) ATRKMT2ANEK2PRKDCNPC1
SCHEMBL2500547 0.79 KCNH2 (0.43) ATRNEK2PRKDC
SCHEMBL6700778 0.78 KMT2A (0.54) KMT2ANPC1RAB9AMAPK1ALDH1A1
SCHEMBL6696482 0.77 PIK3CG (0.55) ATRNEK2PRKDCMAPK1ALDH1A1

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 9 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
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
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
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 ATR 4853/4885KMT2A 4602/4885NEK2 1678/4885

“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.