SCHEMBL2793151

SCHEMBL2793151

CNS(=O)(=O)c1ccc(C(=O)NCC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.58
▸ ROCK1 Q13464 2/20 0.58
▸ MEN1 O00255 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ USP2 O75604 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ NAMPT P43490 2/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL2794980 0.86 ROCK2 (0.68) ROCK2ROCK1MEN1ALDH1A1KMT2A
SCHEMBL2792865 0.84 ROCK2 (0.66) ROCK2ROCK1MEN1ALDH1A1KMT2A
SCHEMBL2794885 0.83 ROCK2 (0.64) ROCK2ROCK1MEN1ALDH1A1KMT2A
SCHEMBL2794381 0.83 ROCK2 (0.64) ROCK2ROCK1MEN1ALDH1A1KMT2A
SCHEMBL3502786 0.83 MEN1 (0.70) ROCK2ROCK1MEN1ALDH1A1KMT2A
SCHEMBL2796155 0.82 KMT2A (0.66) ROCK2ROCK1MEN1KMT2ANAMPT
SCHEMBL2795335 0.82 ROCK2 (0.62) ROCK2ROCK1MEN1KMT2ANAMPT
SCHEMBL2792860 0.82 ROCK2 (0.69) ROCK2ROCK1MEN1ALDH1A1KMT2A
SCHEMBL2793503 0.82 ROCK2 (0.54) ROCK2ROCK1MEN1ALDH1A1KMT2A
SCHEMBL2792305 0.81 ROCK2 (0.68) ROCK2ROCK1MEN1ALDH1A1KMT2A

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 414/4885MEN1 1522/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 ROCK2 528/4885ROCK1 414/4885MEN1 1522/4885

“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.

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