SCHEMBL4521944

SCHEMBL4521944

CC(N)c1ccc(C(=O)Nc2ccncc2)cc1OCCN

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.56
ROCK1 Q13464 2/20 0.54
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
PKM P14618 1/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 4/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
STAT3 P40763 1/20 0.48
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44

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
Hydrochloric Acid SCHEMBL4508678 0.99 ROCK2 (0.55) ROCK2ROCK1KMT2AALDH1A1MEN1
SCHEMBL13713250 0.94 ROCK2 (0.55) ROCK2ROCK1KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL4520028 0.94 ROCK2 (0.54) ROCK2ROCK1KMT2AALDH1A1MEN1
SCHEMBL4513040 0.91 ROCK2 (0.62) ROCK2ROCK1KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL4525095 0.90 ROCK2 (0.61) ROCK2ROCK1KMT2AALDH1A1MEN1
SCHEMBL4525562 0.90 ROCK2 (0.58) ROCK2ROCK1KMT2AALDH1A1MEN1
SCHEMBL2470980 0.90 GAA (0.66) ROCK2ROCK1KMT2AALDH1A1MEN1
SCHEMBL2470984 0.90 GAA (0.66) ROCK2ROCK1KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL4507781 0.89 ROCK2 (0.57) ROCK2ROCK1KMT2AALDH1A1MEN1
SCHEMBL6560211 0.85 KMT2A (0.70) ROCK2ROCK1KMT2AALDH1A1MEN1

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 7 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
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO 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 1/4885KMT2A 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.