SCHEMBL2793779

SCHEMBL2793779

NC(CC(=O)Nc1ccc(CO)cc1)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.56
ROCK1 Q13464 2/20 0.56
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.46
NT5E P21589 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44

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
SCHEMBL2793459 0.87 ROCK2 (0.61) ROCK2ROCK1KDM4EL3MBTL1POLB
SCHEMBL2790882 0.85 ROCK2 (0.58) ROCK2ROCK1KDM4EPOLBMAPT
SCHEMBL2794103 0.82 ROCK2 (0.57) ROCK2ROCK1KDM4EL3MBTL1NAMPT
SCHEMBL2790680 0.82 ROCK2 (0.64) ROCK2ROCK1KDM4EL3MBTL1POLB
SCHEMBL2792304 0.81 ROCK2 (0.66) ROCK2ROCK1KDM4EL3MBTL1POLB
SCHEMBL2795349 0.80 NAMPT (0.60) ROCK2ROCK1KDM4EL3MBTL1NAMPT
SCHEMBL13230434 0.80 NAMPT (0.60) ROCK2ROCK1KDM4EL3MBTL1NAMPT
SCHEMBL13230439 0.80 NAMPT (0.60) ROCK2ROCK1KDM4EL3MBTL1NAMPT
SCHEMBL2792068 0.80 NAMPT (0.60) ROCK2ROCK1L3MBTL1POLBKMT2A
SCHEMBL2794930 0.80 NAMPT (0.58) ROCK2ROCK1KDM4EL3MBTL1POLB

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 414/4885KDM4E 4352/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 ROCK2 528/4885ROCK1 414/4885KDM4E 4352/4885

“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.