SCHEMBL12391978

SCHEMBL12391978

CC(C)(C)C(=O)c1cn(CCOCCO)nn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
MAPK14 Q16539 4/20 0.39
JAK3 P52333 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
GLS O94925 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
FABP7 O15540 1/20 0.32
PTGS2 P35354 1/20 0.32
CHRNA7 P36544 2/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32

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
SCHEMBL25446383 0.94 NR1H4 (0.38) MAPTMAPK14NR1H4GLSALDH1A1
SCHEMBL12391991 0.88 DGAT1 (0.39) MAPTNR1H4GLSALDH1A1LMNA
SCHEMBL26414505 0.86 ALDH1A1 (0.34) MAPTNR1H4GLSALDH1A1LMNA
SCHEMBL13350010 0.84 MAPT (0.45) MAPTMAPK14JAK3GLSIRAK4
SCHEMBL12392027 0.83 MGLL (0.49) MAPTMAPK14NR1H4ALDH1A1LMNA
SCHEMBL12391987 0.83 MAPT (0.40) MAPTMAPK14JAK3GLSALDH1A1
SCHEMBL12451999 0.82 MAPT (0.43) MAPTMAPK14GLSIRAK4ALDH1A1
SCHEMBL24841212 0.82 MAPT (0.46) MAPTMAPK14GLSALDH1A1LMNA
SCHEMBL12286925 0.81 SCD (0.46) MAPTMAPK14JAK3GLSIRAK4
SCHEMBL15223683 0.81 GLS (0.47) MAPTGLS

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 10 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-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-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-8889868-B2 CC-1065 analogs and their conjugates SYNTARGA BV (NL) 2014-11-18 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 (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-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L MAPT 4526/4885MAPK14 2813/4885JAK3 4659/4885
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates PCNA, CDC5L, TOP1 MAPT 4626/4885MAPK14 2612/4885JAK3 4440/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L MAPT 4526/4885MAPK14 2813/4885JAK3 4659/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L MAPT 4526/4885MAPK14 2813/4885JAK3 4659/4885

“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.