SCHEMBL12392425

SCHEMBL12392425

CN(C)c1ccc(-c2nc3cc(C(=O)C(C)(C)C)ccc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
TCF4 P15884 1/20 0.50
CTNNB1 P35222 1/20 0.50
AURKA O14965 5/20 0.48
CHEK2 O96017 3/20 0.47
PARP1 P09874 1/20 0.46
TOP1 P11387 2/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GUSB P08236 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RHEB Q15382 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KIF11 P52732 1/20 0.43

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
SCHEMBL1663678 0.86 SIRT2 (0.58) SIRT2SIRT1TCF4CTNNB1AURKA
SCHEMBL15223904 0.86 SIRT2 (0.58) SIRT2SIRT1TCF4CTNNB1AURKA
SCHEMBL12392517 0.86 CHEK2 (0.49) CHEK2KDM4EMAPTNPC1RAB9A
SCHEMBL20001644 0.85 SIRT2 (0.57) SIRT2SIRT1TCF4CTNNB1AURKA
SCHEMBL20001676 0.85 CHEK2 (0.64) SIRT2SIRT1CHEK2PARP1
SCHEMBL12392414 0.85 CHEK2 (0.51) CHEK2KDM4EMAPTNPC1RAB9A
SCHEMBL12392575 0.83 CHEK2 (0.58) CHEK2KDM4EMAPTNPC1RAB9A
SCHEMBL23845415 0.81 HPSE (0.61) SIRT2SIRT1KDM4EMAPTNPC1
SCHEMBL29698973 0.81 HPSE (0.61) SIRT2SIRT1KDM4EMAPTNPC1
SCHEMBL29002248 0.81 SIRT2 (0.53) SIRT2SIRT1TCF4CTNNB1AURKA

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-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 US disclosed
US-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS BYONDIS B.V. (NL) 2013-08-29 US disclosed
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates BYONDIS B.V. (NL) 2011-08-25 US 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 (6 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L SIRT2 1850/4885SIRT1 2767/4885TCF4 4868/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L SIRT2 1850/4885SIRT1 2767/4885TCF4 4868/4885
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates PCNA, CDC5L, TOP1 SIRT2 2464/4885SIRT1 3147/4885TCF4 4812/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L SIRT2 1850/4885SIRT1 2767/4885TCF4 4868/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L SIRT2 1850/4885SIRT1 2767/4885TCF4 4868/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L SIRT2 1850/4885SIRT1 2767/4885TCF4 4868/4885

“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.