SCHEMBL4512478

SCHEMBL4512478

CC(N)c1ccc(C(=O)Nc2ccncc2)cc1-c1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.72
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
KDM4E B2RXH2 1/20 0.62
SIRT2 Q8IXJ6 3/20 0.61
ROCK1 Q13464 2/20 0.52
POLB P06746 1/20 0.49
STAT3 P40763 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
DEGS1 O15121 1/20 0.45
PLAU P00749 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ENPP3 O14638 1/20 0.45

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
SCHEMBL4515679 0.88 ROCK2 (0.79) ROCK2NPC1RAB9AKDM4ESIRT2
SCHEMBL4517142 0.86 ROCK2 (0.84) ROCK2NPC1RAB9AKDM4EROCK1
SCHEMBL4518105 0.84 ROCK2 (0.73) ROCK2RAB9AKDM4EROCK1POLB
SCHEMBL4512176 0.84 ROCK2 (0.77) ROCK2NPC1RAB9AKDM4EROCK1
SCHEMBL4511321 0.84 ROCK2 (1.00) ROCK2NPC1RAB9AKDM4EROCK1
SCHEMBL4515869 0.84 ROCK2 (0.72) ROCK2NPC1RAB9AKDM4EROCK1
SCHEMBL4521062 0.84 ROCK2 (0.80) ROCK2KDM4EROCK1POLBSTAT3
SCHEMBL29827460 0.84 ROCK2 (1.00) ROCK2NPC1RAB9AKDM4EROCK1
SCHEMBL4523166 0.83 ROCK2 (0.66) ROCK2NPC1RAB9AROCK1POLB
SCHEMBL2445126 0.83 ROCK2 (0.69) ROCK2SIRT2ROCK1POLBSTAT3

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 32/4885NPC1 1514/4885RAB9A 1324/4885

“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.