SCHEMBL4529418

SCHEMBL4529418

COc1ccccc1-c1cc(C(=O)Nc2ccncc2)ccc1C(C)N

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.66
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
PKM P14618 1/20 0.57
ROCK1 Q13464 2/20 0.52
POLB P06746 2/20 0.50
ABL1 P00519 1/20 0.49
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
JAK2 O60674 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
KCNMA1 Q12791 1/20 0.46
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6560211 0.85 KMT2A (0.70) ROCK2ALDH1A1KMT2AMEN1PKM
SCHEMBL4522885 0.85 ROCK2 (0.65) ROCK2ALDH1A1KMT2AMEN1PKM
SCHEMBL4515679 0.83 ROCK2 (0.79) ROCK2ALDH1A1KMT2AMEN1PKM
SCHEMBL4517142 0.82 ROCK2 (0.84) ROCK2ALDH1A1KMT2AMEN1PKM
SCHEMBL4512176 0.82 ROCK2 (0.77) ROCK2ALDH1A1KMT2AMEN1PKM
SCHEMBL4523166 0.81 ROCK2 (0.66) ROCK2ALDH1A1KMT2AMEN1PKM
SCHEMBL14245445 0.81 ROCK2 (0.60) ROCK2ALDH1A1KMT2AMEN1PKM
Hydrochloric Acid SCHEMBL4506859 0.81 ROCK2 (0.75) ROCK2ALDH1A1KMT2AMEN1PKM
SCHEMBL14246056 0.79 ROCK2 (0.70) ROCK2
SCHEMBL4515869 0.79 ROCK2 (0.72) ROCK2ALDH1A1ROCK1POLBABL1

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 32/4885ALDH1A1 2810/4885KMT2A 3194/4885

“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.