SCHEMBL2793073

SCHEMBL2793073

COc1ccc(C(=O)NCC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.62
ROCK1 Q13464 2/20 0.62
NAMPT P43490 1/20 0.57
RAB9A P51151 5/20 0.56
NPC1 O15118 5/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 4/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 2/20 0.53
ALOX15 P16050 1/20 0.53
STAT3 P40763 1/20 0.52
PSMD14 O00487 1/20 0.52
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL2796251 0.92 NAMPT (0.66) ROCK2ROCK1NAMPTRAB9ANPC1
SCHEMBL2791749 0.92 KMT2A (0.60) ROCK2ROCK1NAMPTRAB9ANPC1
SCHEMBL2791311 0.91 ROCK2 (0.59) ROCK2ROCK1NAMPTRAB9ANPC1
SCHEMBL2792680 0.90 KMT2A (0.62) ROCK2ROCK1NAMPTRAB9ANPC1
SCHEMBL2790933 0.90 ROCK2 (0.55) ROCK2ROCK1NAMPTRAB9ANPC1
SCHEMBL2794980 0.89 ROCK2 (0.68) ROCK2ROCK1NAMPTPOLBKMT2A
SCHEMBL2793965 0.89 NAMPT (0.67) ROCK2ROCK1NAMPTRAB9ANPC1
SCHEMBL2792865 0.87 ROCK2 (0.66) ROCK2ROCK1NAMPTRAB9ANPC1
SCHEMBL2792325 0.87 LMNA (0.66) ROCK2ROCK1NAMPTRAB9ANPC1
SCHEMBL2794697 0.87 ROCK2 (0.56) ROCK2ROCK1NAMPTRAB9ANPC1

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.