SCHEMBL6599333

SCHEMBL6599333

COc1cc(Br)c(OC)c2c(Cl)ccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.38
DYRK1A Q13627 1/20 0.36
NSD2 O96028 2/20 0.35
CASP6 P55212 1/20 0.35
G6PD P11413 1/20 0.35
BRAF P15056 1/20 0.35
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
CASP3 P42574 1/20 0.34
PPP1CA P62136 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
GAK O14976 4/20 0.33
RIPK2 O43353 2/20 0.33
COQ8A Q8NI60 2/20 0.33
NLK Q9UBE8 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL24715778 0.76 NQO2 (0.39) NQO2DYRK1ANSD2CASP6G6PD
SCHEMBL7188128 0.75 ALDH1A1 (0.42) NQO2DYRK1AG6PDALDH1A1CYP1A2
SCHEMBL25130366 0.72 ALOX5AP (0.39) NQO2DYRK1ANSD2CASP6G6PD
SCHEMBL7213113 0.70 CA2 (0.50) CYP3A4MAPTCA2CA4TUBB4A
SCHEMBL24715844 0.70 SLC6A3 (0.39) NQO2DYRK1AG6PDALDH1A1CYP1A2
SCHEMBL20292984 0.69 NSD2 (0.40) NQO2DYRK1ANSD2CASP6G6PD
SCHEMBL7186122 0.68 MAPT (0.44) NQO2NSD2CASP6APAF1TDP2
SCHEMBL31436390 0.68 KDM4E (0.45) G6PDGAKALDH1A1CYP1A2CYP3A4
SCHEMBL1556931 0.68 KDM4E (0.45) G6PDGAKALDH1A1CYP1A2CYP3A4
SCHEMBL24715893 0.68 G6PD (0.60) NQO2DYRK1ANSD2CASP6G6PD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080090-B1 ANTITUMOUR 1,5-DIAZAANTHRAQUINONES UNIV MADRID COMPLUTENSE (ES) 2004-02-25 EP disclosed
US-6525063-B2 3,7-dimethyl-1,5-diazaanthraquinone for example UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2003-02-25 US disclosed
US-20020099066-A1 Antitumour 1,5-diazaanthraquinones UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-07-25 US disclosed
EP-1080090-A1 ANTITUMOUR 1,5-DIAZAANTHRAQUINONES UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2001-03-07 EP disclosed
WO-1999059996-A1 ANTITUMOUR 1,5-DIAZAANTHRAQUINONES UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 1999-11-25 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-20020099066-A1 Antitumour 1,5-diazaanthraquinones PRMT7, TPD52L2, DRD4 NQO2 70/4885DYRK1A 2463/4885NSD2 103/4885

“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.