SCHEMBL4512176

SCHEMBL4512176

COc1ccc(-c2cc(C(=O)Nc3ccncc3)ccc2C(C)N)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.77
ROCK1 Q13464 2/20 0.53
ABL1 P00519 2/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
PLAU P00749 2/20 0.51
POLB P06746 1/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
MAPK14 Q16539 1/20 0.48
PLAT P00750 1/20 0.48

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 SCHEMBL4506859 0.99 ROCK2 (0.75) ROCK2ROCK1ABL1KMT2AMEN1
SCHEMBL4517142 0.90 ROCK2 (0.84) ROCK2ROCK1ABL1KMT2AMEN1
SCHEMBL4523166 0.89 ROCK2 (0.66) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL29827460 0.87 ROCK2 (1.00) ROCK2ROCK1ABL1KMT2AMEN1
SCHEMBL4511321 0.87 ROCK2 (1.00) ROCK2ROCK1ABL1KMT2AMEN1
SCHEMBL4521062 0.87 ROCK2 (0.80) ROCK2ROCK1ABL1KMT2AMEN1
SCHEMBL4515679 0.86 ROCK2 (0.79) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL4527192 0.86 KDM4E (0.64) ROCK2ROCK1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4517331 0.86 ROCK2 (0.78) ROCK2ROCK1ABL1KMT2AMEN1
SCHEMBL4506340 0.86 ROCK2 (0.78) ROCK2ROCK1KMT2AMEN1ALDH1A1

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 1/4885ABL1 239/4885

“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.