SCHEMBL2824904

SCHEMBL2824904

NC(CNC(=O)Cc1c(F)cccc1F)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 1/20 0.56
ROCK2 O75116 2/20 0.54
ROCK1 Q13464 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
JAK2 O60674 3/20 0.46
TYK2 P29597 3/20 0.46
HTT P42858 2/20 0.46
JAK1 P23458 2/20 0.46
NOD2 Q9HC29 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
STAT3 P40763 1/20 0.43
NAMPT P43490 3/20 0.42
MAPK7 Q13164 1/20 0.42
MAPK14 Q16539 1/20 0.42
NT5E P21589 1/20 0.41
KMT2A Q03164 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
SCHEMBL2792665 0.85 ROCK2 (0.61) ROCK2ROCK1SMN1; SMN2JAK2TYK2
SCHEMBL2794581 0.84 ROCK2 (0.55) ROCK2ROCK1SMN1; SMN2HTTKDM4E
SCHEMBL2793411 0.84 ROCK2 (0.57) ROCK2ROCK1SMN1; SMN2JAK2TYK2
SCHEMBL2790117 0.84 ROCK2 (0.52) ROCK2ROCK1SMN1; SMN2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL2792561 0.83 ROCK2 (0.53) ROCK2ROCK1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL2791263 0.82 ROCK2 (0.64) ROCK2ROCK1SMN1; SMN2JAK2TYK2
SCHEMBL2791413 0.81 ROCK2 (0.49) ROCK2ROCK1SMN1; SMN2JAK2TYK2
SCHEMBL2792510 0.81 ROCK2 (0.49) ROCK2ROCK1KDM4EL3MBTL1RAB9A
SCHEMBL2796020 0.81 ROCK2 (0.54) ROCK2ROCK1SMN1; SMN2JAK2TYK2
SCHEMBL2793087 0.81 ROCK2 (0.54) ROCK2ROCK1SMN1; SMN2JAK2TYK2

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 DNMT3B 4282/4885ROCK2 528/4885ROCK1 414/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 DNMT3B 4282/4885ROCK2 528/4885ROCK1 414/4885

“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.