SCHEMBL2793459

SCHEMBL2793459

Cc1ccc(NC(=O)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.61
ROCK1 Q13464 2/20 0.61
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 1/20 0.57
NAMPT P43490 3/20 0.54
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.49
NT5E P21589 2/20 0.47
CA1 P00915 1/20 0.46
CA9 Q16790 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
SCHEMBL2790882 0.88 ROCK2 (0.58) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL2792068 0.88 NAMPT (0.60) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL2793779 0.87 ROCK2 (0.56) ROCK2ROCK1KMT2AMEN1LMNA
SCHEMBL2790626 0.87 ROCK2 (0.54) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL2790624 0.87 ROCK2 (0.54) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL2793928 0.87 ROCK2 (0.54) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL2790925 0.86 RAB9A (0.56) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL2790680 0.85 ROCK2 (0.64) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL2792865 0.84 ROCK2 (0.66) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL2793546 0.82 ROCK2 (0.63) ROCK2ROCK1KMT2AMEN1ALDH1A1

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 414/4885KMT2A 1918/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 ROCK2 528/4885ROCK1 414/4885KMT2A 1918/4885

“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.