SCHEMBL4518862

SCHEMBL4518862

CC(NC(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccncc2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 2/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NT5E P21589 1/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
CYP17A1 P05093 1/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2439543 0.87 KDM4E (0.46) ROCK2ROCK1NAMPTALDH1A1MEN1
SCHEMBL12330029 0.84 ROCK2 (0.49) ROCK2NAMPTALDH1A1NT5ECYP17A1
SCHEMBL28832884 0.84 ROCK2 (0.53) ROCK2NAMPTALDH1A1MEN1KMT2A
SCHEMBL4512467 0.84 POLB (0.57) ROCK2NAMPTALDH1A1MEN1KMT2A
SCHEMBL30895333 0.82 ROCK2 (0.59) ROCK2ROCK1NAMPTALDH1A1KMT2A
SCHEMBL13229732 0.82 ROCK2 (0.59) ROCK2ROCK1NAMPTALDH1A1KMT2A
SCHEMBL12330028 0.81 ROCK2 (0.48) ROCK2NAMPTALDH1A1POLBNT5E
SCHEMBL1553388 0.80 ROCK2 (0.67) ROCK2ROCK1ALDH1A1MEN1KMT2A
SCHEMBL1553390 0.80 ROCK2 (0.67) ROCK2ROCK1ALDH1A1MEN1KMT2A
SCHEMBL2440169 0.80 ROCK2 (0.55) ROCK2NT5ELMNAHTTITGB3

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 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
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO 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 1/4885NAMPT 2193/4885

“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.