SCHEMBL2790945

SCHEMBL2790945

CC(CNC(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.56
ROCK1 Q13464 2/20 0.56
KMT2A Q03164 2/20 0.55
NT5E P21589 1/20 0.55
MAPK1 P28482 1/20 0.49
NAMPT P43490 3/20 0.47
FFAR2 O15552 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
SNCA P37840 1/20 0.43
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SLC6A9 P48067 1/20 0.41

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
SCHEMBL2794230 0.91 ROCK2 (0.57) ROCK2ROCK1KMT2ANAMPTKDM4E
SCHEMBL2793307 0.84 NT5E (0.55) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2792762 0.83 ROCK2 (0.67) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2796155 0.82 KMT2A (0.66) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2790070 0.82 ROCK2 (0.54) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2792835 0.82 KMT2A (0.55) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2792996 0.80 NAMPT (0.51) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2792944 0.80 KMT2A (0.50) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2791584 0.80 KMT2A (0.50) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2817650 0.80 ROCK2 (0.58) ROCK2ROCK1KMT2ANT5EMAPK1

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 414/4885KMT2A 1918/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 ROCK2 528/4885ROCK1 414/4885KMT2A 1918/4885

“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.