SCHEMBL5359950

SCHEMBL5359950

CN(C)CCNc1ccc(N)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.54
CSNK2B P67870 2/20 0.54
CSNK2A1 P68400 2/20 0.54
CSNK2A3 Q8NEV1 2/20 0.54
NQO1 P15559 2/20 0.54
CYP19A1 P11511 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
BLM P54132 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
HIF1A Q16665 3/20 0.51
USP2 O75604 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.51
RECQL P46063 2/20 0.51
TOP2A P11388 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51

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
SCHEMBL13194382 1.00 CSNK2A2 (0.54) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL3148984 0.92 CYP19A1 (0.62) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL11277491 0.92 CYP19A1 (0.62) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL29527683 0.92 CYP19A1 (0.62) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL3418071 0.92 CYP19A1 (0.62) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL3418628 0.92 THRB (0.45) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL11522777 0.92 CYP19A1 (0.62) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL30513721 0.92 CYP19A1 (0.62) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL1202596 0.92 CYP19A1 (0.62) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
Hydrochloric Acid SCHEMBL11129891 0.90 CYP19A1 (0.60) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276537-B2 Formulations of anthraquinone derivatives BTG INTERNATIONAL LIMITED (GB) 2007-10-02 US disclosed
US-20070161808-A1 Process for the preparation of aq4n KUDOS PHARMACEUTICALS LIMITED (GB) 2007-07-12 US disclosed
US-20070027136-A1 Formulations of anthraquinone derivatives BTG INTERNATIONAL LIMITED (GB) 2007-02-01 US disclosed
EP-1732881-A2 PROCESS FOR THE PREPARATION OF AQ4N Kudos Pharmaceuticals Limited (GB) 2006-12-20 EP disclosed
US-20060205820-A1 Formulations of anthraquinone derivatives BTG INTERNATIONAL LIMITED (GB) 2006-09-14 US disclosed
US-7074835-B2 Formulations of anthraquinone derivatives BTG INTERNATIONAL LIMITED (GB) 2006-07-11 US disclosed
EP-1663147-A1 FORMULATIONS OF ANTHRAQUINONE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 2006-06-07 EP disclosed
US-20050256188-A1 Formulations of anthraquinone derivatives BTG INTERNATIONAL LIMITED (GB) 2005-11-17 US disclosed
WO-2005080314-A2 PROCESS FOR THE PREPARATION OF AQ4N KUDOS PHARMACEUTICALS LIMITED (GB) 2005-09-01 WO disclosed
WO-2005025537-A1 FORMULATIONS OF ANTHRAQUINONE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 2005-03-24 WO disclosed
EP-1485349-A1 FORMULATIONS OF ANTHRAQUINONE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 2004-12-15 EP disclosed
WO-2003078387-A1 FORMULATIONS OF ANTHRAQUINONE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 2003-09-25 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 (4 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-20070027136-A1 Formulations of anthraquinone derivatives NQO2, ANTXR2, QTRT2 CSNK2A2 3560/4885CSNK2B 3349/4885CSNK2A1 3479/4885
US-20050256188-A1 Formulations of anthraquinone derivatives ADCY10, GNAQ, PRKAR2A CSNK2A2 816/4885CSNK2B 709/4885CSNK2A1 765/4885
US-20070161808-A1 Process for the preparation of aq4n AQP1, AQP4, AQP3 CSNK2A2 2576/4885CSNK2B 2709/4885CSNK2A1 2847/4885
US-20060205820-A1 Formulations of anthraquinone derivatives ADCY10, GNAQ, PRKAR2A CSNK2A2 816/4885CSNK2B 709/4885CSNK2A1 765/4885

“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.