SCHEMBL2794697

SCHEMBL2794697

NC(CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.56
ROCK1 Q13464 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
MAPK14 Q16539 2/20 0.56
CYP3A4 P08684 1/20 0.56
MMP13 P45452 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
RECQL P46063 1/20 0.53
PGR P06401 1/20 0.52
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
STAT3 P40763 2/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC1 Q13547 1/20 0.47

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
SCHEMBL2793159 0.93 KMT2A (0.52) ROCK2ROCK1SMN1; SMN2LMNAHTT
SCHEMBL2794381 0.91 ROCK2 (0.64) ROCK2ROCK1SMN1; SMN2HTTNPC1
SCHEMBL2792962 0.89 ROCK2 (0.51) ROCK2ROCK1SMN1; SMN2LMNAHTT
SCHEMBL2792854 0.88 ROCK2 (0.60) ROCK2ROCK1SMN1; SMN2HTTNPC1
SCHEMBL2794980 0.87 ROCK2 (0.68) ROCK2ROCK1SMN1; SMN2LMNAHTT
SCHEMBL2793073 0.87 ROCK2 (0.62) ROCK2ROCK1SMN1; SMN2LMNANPC1
SCHEMBL3502829 0.86 ALDH1A1 (0.60) ROCK2ROCK1SMN1; SMN2LMNAMMP13
SCHEMBL2793470 0.85 LMNA (0.58) ROCK2ROCK1SMN1; SMN2LMNAHTT
SCHEMBL2792197 0.83 ROCK2 (0.57) ROCK2ROCK1SMN1; SMN2HTTJAK2
SCHEMBL2792680 0.83 KMT2A (0.62) ROCK2ROCK1SMN1; SMN2LMNAHTT

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 414/4885SMN1; SMN2 3334/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 ROCK2 528/4885ROCK1 414/4885SMN1; SMN2 3334/4885

“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.