SCHEMBL2790933

SCHEMBL2790933

COc1ccc(CC(=O)NCC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 2/20 0.55
NAMPT P43490 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
KMT2A Q03164 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 3/20 0.50
MAPK1 P28482 1/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
PSMD14 O00487 1/20 0.47
STAT3 P40763 1/20 0.47
KDM4E B2RXH2 2/20 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
SCHEMBL2793073 0.90 ROCK2 (0.62) ROCK2ROCK1NAMPTSMN1; SMN2BCHE
SCHEMBL2792665 0.90 ROCK2 (0.61) ROCK2ROCK1NAMPTSMN1; SMN2KMT2A
SCHEMBL2793880 0.89 ROCK2 (0.58) ROCK2ROCK1NAMPTSMN1; SMN2KMT2A
SCHEMBL2795583 0.89 NAMPT (0.53) ROCK2ROCK1NAMPTKMT2AMEN1
SCHEMBL2793965 0.87 NAMPT (0.67) ROCK2ROCK1NAMPTSMN1; SMN2NPC1
SCHEMBL2791311 0.87 ROCK2 (0.59) ROCK2ROCK1NAMPTSMN1; SMN2BCHE
SCHEMBL2796251 0.87 NAMPT (0.66) ROCK2ROCK1NAMPTSMN1; SMN2BCHE
SCHEMBL2794581 0.87 ROCK2 (0.55) ROCK2ROCK1NAMPTSMN1; SMN2KMT2A
SCHEMBL2793411 0.86 ROCK2 (0.57) ROCK2ROCK1NAMPTSMN1; SMN2KMT2A
SCHEMBL2792905 0.85 ROCK2 (0.49) ROCK2ROCK1NAMPTKMT2ANPC1

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.