SCHEMBL2792845

SCHEMBL2792845

NC(CC(=O)N(Cl)Cc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
JAK2 O60674 1/20 0.50
TYK2 P29597 1/20 0.50
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
STAT3 P40763 1/20 0.49
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 2/20 0.46
NT5E P21589 1/20 0.45
SCD O00767 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 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
SCHEMBL2792947 0.91 KMT2A (0.56) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL2790667 0.90 ROCK2 (0.50) ROCK2ROCK1SMN1; SMN2HTTKDM4E
SCHEMBL2796280 0.89 SMN1; SMN2 (0.48) ROCK2ROCK1JAK2TYK2POLB
SCHEMBL2793033 0.88 ROCK2 (0.51) ROCK2ROCK1JAK2TYK2POLB
SCHEMBL2790067 0.88 ROCK2 (0.54) ROCK2ROCK1JAK2TYK2POLB
SCHEMBL2791775 0.88 ROCK2 (0.51) ROCK2ROCK1JAK2TYK2POLB
SCHEMBL2792322 0.88 ROCK2 (0.50) ROCK2ROCK1JAK2TYK2POLB
SCHEMBL3503195 0.86 ROCK2 (0.53) ROCK2ROCK1JAK2TYK2POLB
SCHEMBL2792738 0.86 ROCK2 (0.51) ROCK2ROCK1JAK2TYK2POLB
SCHEMBL2793072 0.86 HDAC1 (0.49) ROCK2ROCK1JAK2TYK2POLB

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 414/4885JAK2 323/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 ROCK2 528/4885ROCK1 414/4885JAK2 323/4885

“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.