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Sugi Predict / Compounds / SCHEMBL10013646

SCHEMBL10013646

SCHEMBL10013646

CCN(CC)CCNC(=O)CNc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 2/20 0.43
▸ CSNK2B P67870 2/20 0.43
▸ CSNK2A1 P68400 2/20 0.43
▸ CSNK2A3 Q8NEV1 2/20 0.43
▸ CYP19A1 P11511 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 4/20 0.40
▸ BLM P54132 4/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ SLC22A2 O15244 2/20 0.40
▸ SLC22A1 O15245 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ RECQL P46063 2/20 0.40

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
SCHEMBL10013634 0.89 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP19A1
SCHEMBL13350306 0.89 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP19A1
SCHEMBL10013650 0.89 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP19A1
SCHEMBL13350278 0.89 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP19A1
SCHEMBL10013636 0.88 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP19A1
SCHEMBL10013644 0.84 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP19A1
SCHEMBL10013651 0.82 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP19A1
SCHEMBL13350272 0.81 NQO1 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP19A1
SCHEMBL9367633 0.80 CYP19A1 (0.59) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP19A1
SCHEMBL10013643 0.79 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP19A1

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.