SCHEMBL10013652

SCHEMBL10013652

CN(C)CCNC(=N)CNc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A3 Q8NEV1 2/20 0.44
NQO1 P15559 2/20 0.44
CYP19A1 P11511 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
BLM P54132 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 3/20 0.41
HIF1A Q16665 3/20 0.41
USP2 O75604 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
RECQL P46063 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41

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
SCHEMBL10013650 0.88 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL10013634 0.88 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL13350278 0.88 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL13350306 0.88 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL5359950 0.86 CSNK2A2 (0.54) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL13194382 0.86 CSNK2A2 (0.54) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL13350272 0.80 NQO1 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL10013648 0.80 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL3418628 0.78 THRB (0.45) CSNK2A2CSNK2BCSNK2A1CSNK2A3NQO1
SCHEMBL3418071 0.78 CYP19A1 (0.62) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9709557-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2017-07-18 US disclosed
US-9709557-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2017-07-18 US disclosed
US-20150168383-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation 2015-06-18 US disclosed
US-8999965-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2015-04-07 US disclosed
US-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation (US) 2012-02-02 US disclosed
WO-2010062499-A2 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation (US) 2010-06-03 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-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF ANTXR2, AAAS, IK CSNK2A2 3068/4885CSNK2B 2721/4885CSNK2A1 3190/4885
US-20150168383-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF ANTXR2, AAAS, IK CSNK2A2 3068/4885CSNK2B 2721/4885CSNK2A1 3190/4885

“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.