SCHEMBL4516227

SCHEMBL4516227

C[C@@H](N)c1ccc(C(=O)Nc2ccncc2)cc1-c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.65
ROCK1 Q13464 2/20 0.54
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NT5E P21589 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GFER P55789 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
HTT P42858 2/20 0.44
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL4525617 1.00 ROCK2 (0.65) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL4517803 1.00 ROCK2 (0.65) ROCK2ROCK1ALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL4514078 0.99 ROCK2 (0.64) ROCK2ROCK1ALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL4521055 0.99 ROCK2 (0.64) ROCK2ROCK1ALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL4504512 0.99 ROCK2 (0.64) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL4505598 0.88 ROCK2 (0.51) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL4516460 0.88 ROCK2 (0.51) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL4528836 0.88 ROCK2 (0.56) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL4516000 0.86 ROCK2 (0.48) ROCK2ROCK1ALDH1A1LMNAKDM4E
SCHEMBL4515990 0.86 ROCK2 (0.48) ROCK2ROCK1ALDH1A1LMNAKDM4E

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 6 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
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 1/4885ALDH1A1 2810/4885

“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.