SCHEMBL4515679

SCHEMBL4515679

CC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.79
POLB P06746 1/20 0.58
STAT3 P40763 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ROCK1 Q13464 2/20 0.57
JAK2 O60674 1/20 0.52
TYK2 P29597 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
NT5E P21589 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 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
SCHEMBL4517142 0.94 ROCK2 (0.84) ROCK2POLBSTAT3SMN1; SMN2ROCK1
SCHEMBL4515869 0.91 ROCK2 (0.72) ROCK2POLBSTAT3SMN1; SMN2ROCK1
SCHEMBL2445126 0.90 ROCK2 (0.69) ROCK2POLBSTAT3SMN1; SMN2ROCK1
SCHEMBL29827460 0.88 ROCK2 (1.00) ROCK2POLBSTAT3SMN1; SMN2ROCK1
SCHEMBL4511321 0.88 ROCK2 (1.00) ROCK2POLBSTAT3SMN1; SMN2ROCK1
SCHEMBL4521062 0.88 ROCK2 (0.80) ROCK2POLBSTAT3SMN1; SMN2ROCK1
SCHEMBL4514980 0.88 ROCK2 (0.69) ROCK2POLBSTAT3SMN1; SMN2ROCK1
SCHEMBL4512478 0.88 ROCK2 (0.72) ROCK2POLBSTAT3SMN1; SMN2ROCK1
Hydrochloric Acid SCHEMBL4517331 0.87 ROCK2 (0.78) ROCK2POLBSTAT3SMN1; SMN2ROCK1
SCHEMBL4506340 0.87 ROCK2 (0.78) ROCK2POLBSTAT3SMN1; SMN2ROCK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US claimed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO claimed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 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 (1 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 ROCK2 32/4885POLB 2723/4885STAT3 742/4885

“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.