SCHEMBL2790936

SCHEMBL2790936

CN(CC(N)c1ccc(C(=O)Nc2ccncc2)cc1)C(=O)Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.50
ROCK1 Q13464 2/20 0.50
NAMPT P43490 5/20 0.46
JAK2 O60674 2/20 0.43
TYK2 P29597 2/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
STAT3 P40763 1/20 0.42
LMNA P02545 1/20 0.42
JAK1 P23458 1/20 0.40
NOD2 Q9HC29 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2792494 0.93 ROCK2 (0.48) ROCK2ROCK1NAMPTJAK2TYK2
SCHEMBL2793235 0.89 ROCK2 (0.51) ROCK2ROCK1NAMPTJAK2TYK2
SCHEMBL2791124 0.89 ROCK2 (0.51) ROCK2ROCK1NAMPTJAK2TYK2
SCHEMBL2791028 0.89 ROCK2 (0.48) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2792043 0.89 ROCK2 (0.48) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2795475 0.87 ROCK2 (0.47) ROCK2ROCK1NAMPTJAK2TYK2
SCHEMBL2791397 0.87 ROCK2 (0.47) ROCK2ROCK1NAMPTJAK2TYK2
SCHEMBL2793663 0.87 ROCK2 (0.48) ROCK2ROCK1NAMPTJAK2TYK2
SCHEMBL2792509 0.87 ROCK2 (0.48) ROCK2ROCK1NAMPTJAK2L3MBTL1
SCHEMBL2793940 0.86 ROCK2 (0.54) ROCK2ROCK1NAMPTJAK2TYK2

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.