SCHEMBL4520669

SCHEMBL4520669

CC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1ccco1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.64
ROCK1 Q13464 2/20 0.53
NT5E P21589 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
USP2 O75604 2/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
PTPN7 P35236 2/20 0.46
BLM P54132 2/20 0.46
THRB P10828 1/20 0.46
NR4A1 P22736 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
PTK2B Q14289 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.46

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 0.83 ROCK2 (0.84) ROCK2ROCK1NT5EALDH1A1MAPK1
SCHEMBL4515679 0.82 ROCK2 (0.79) ROCK2ROCK1NT5EALDH1A1MAPK1
SCHEMBL13713261 0.81 SMN1; SMN2 (0.57) ROCK2ROCK1ALDH1A1MAPK1LMNA
SCHEMBL4517679 0.80 ROCK2 (0.70) ROCK2ROCK1NT5EALDH1A1MAPK1
SCHEMBL4515869 0.80 ROCK2 (0.72) ROCK2ROCK1NT5EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4516553 0.80 ROCK2 (0.69) ROCK2ROCK1NT5EALDH1A1MAPK1
SCHEMBL4517803 0.79 ROCK2 (0.65) ROCK2ROCK1NT5EALDH1A1MAPK1
SCHEMBL4516227 0.79 ROCK2 (0.65) ROCK2ROCK1NT5EALDH1A1MAPK1
SCHEMBL4525617 0.79 ROCK2 (0.65) ROCK2ROCK1NT5EALDH1A1MAPK1
SCHEMBL4522885 0.79 ROCK2 (0.65) ROCK2ROCK1NT5EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US claimed
CN-101287707-A Kinase inhibitors DEVGEN NV (BE) 2008-10-15 CN 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 32/4885ROCK1 1/4885NT5E 4665/4885

“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.