SCHEMBL2794980

SCHEMBL2794980

NC(CNC(=O)c1ccncc1)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.68
ROCK1 Q13464 2/20 0.68
KDM4E B2RXH2 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 1/20 0.55
KMT2A Q03164 3/20 0.52
NT5E P21589 1/20 0.52
HTT P42858 1/20 0.51
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
STAT3 P40763 2/20 0.50
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
NAMPT P43490 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL2794381 0.94 ROCK2 (0.64) ROCK2ROCK1KDM4EL3MBTL1GAA
SCHEMBL2792865 0.92 ROCK2 (0.66) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL2796155 0.92 KMT2A (0.66) ROCK2ROCK1KDM4EL3MBTL1GAA
SCHEMBL2795335 0.92 ROCK2 (0.62) ROCK2ROCK1KDM4EL3MBTL1GAA
SCHEMBL2794885 0.91 ROCK2 (0.64) ROCK2ROCK1KDM4EL3MBTL1GAA
SCHEMBL2792854 0.90 ROCK2 (0.60) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL2792860 0.90 ROCK2 (0.69) ROCK2ROCK1KDM4EL3MBTL1GAA
SCHEMBL2795683 0.89 ROCK2 (0.64) ROCK2ROCK1KDM4EL3MBTL1GAA
SCHEMBL2793143 0.89 ROCK2 (0.58) ROCK2ROCK1KDM4EL3MBTL1GAA
SCHEMBL2793073 0.89 ROCK2 (0.62) ROCK2ROCK1KDM4EL3MBTL1KMT2A

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.