SCHEMBL2790070

SCHEMBL2790070

CC(Cc1ccc(Cl)cc1)NC(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.54
ROCK1 Q13464 3/20 0.54
KMT2A Q03164 2/20 0.53
NT5E P21589 1/20 0.53
MAPK1 P28482 1/20 0.47
NAMPT P43490 1/20 0.46
FPR2 P25090 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
IRAK1 P51617 1/20 0.44
PRKX P51817 1/20 0.44
LIMK1 P53667 1/20 0.44
PRKG2 Q13237 1/20 0.44
PRKG1 Q13976 1/20 0.44
PKN2 Q16513 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
AURKB Q96GD4 1/20 0.44
CLK4 Q9HAZ1 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
SCHEMBL2790341 0.83 ROCK2 (0.59) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2793307 0.82 NT5E (0.55) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2790945 0.82 ROCK2 (0.56) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2793379 0.82 SLC6A9 (0.61) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2793102 0.82 ROCK2 (0.48) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2793357 0.81 KMT2A (0.54) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2793546 0.81 ROCK2 (0.63) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2792835 0.80 KMT2A (0.55) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2792947 0.79 KMT2A (0.56) ROCK2ROCK1KMT2ANT5EMAPK1
SCHEMBL2792957 0.79 ROCK2 (0.59) ROCK2ROCK1KMT2AMAPK1NAMPT

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.