SCHEMBL2793153

SCHEMBL2793153

CN(C)CCNC(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.56
ROCK1 Q13464 3/20 0.56
NAMPT P43490 2/20 0.52
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 2/20 0.44
NT5E P21589 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
STAT3 P40763 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
BCHE P06276 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2817650 0.87 ROCK2 (0.58) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2792148 0.87 ROCK2 (0.58) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL3504202 0.84 ROCK2 (0.58) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2792274 0.83 ROCK2 (0.54) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2790925 0.82 RAB9A (0.56) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2794103 0.82 ROCK2 (0.57) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2790576 0.82 RAB9A (0.54) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2790680 0.82 ROCK2 (0.64) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2792776 0.81 ROCK2 (0.57) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2792960 0.81 NAMPT (0.53) ROCK2ROCK1NAMPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 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 (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-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 ROCK2 528/4885ROCK1 414/4885NAMPT 1420/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 ROCK2 528/4885ROCK1 414/4885NAMPT 1420/4885

“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.