SCHEMBL14477231

SCHEMBL14477231

CC(C)NC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN(C)C)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.44
BACE1 P56817 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.40
SLC2A1 P11166 1/20 0.39
PTGES O14684 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL8186696 0.94 PAK4 (0.42) ROCK2CYP3A4CYP2C19SLC2A1PTGES
SCHEMBL8186701 0.94 PAK4 (0.42) ROCK2CYP3A4CYP2C19SLC2A1PTGES
SCHEMBL12263484 0.93 ROCK2 (0.41) ROCK2BACE1CYP3A4CYP2C19SLC2A1
SCHEMBL14477229 0.92 ROCK2 (0.50) ROCK2BACE1CYP3A4CYP2C19SLC2A1
SCHEMBL3157931 0.90 ROCK2 (0.43) ROCK2BACE1CYP3A4CYP2C19SLC2A1
SCHEMBL3157925 0.90 ROCK2 (0.43) ROCK2BACE1CYP3A4CYP2C19SLC2A1
SCHEMBL2567314 0.89 ROCK2 (0.46) ROCK2BACE1CYP3A4CYP2C19SLC2A1
SCHEMBL2567313 0.89 ROCK2 (0.46) ROCK2BACE1CYP3A4CYP2C19SLC2A1
SCHEMBL31094025 0.89 ROCK2 (0.41) ROCK2BACE1CYP3A4CYP2C19MAPT
SCHEMBL436224 0.89 ROCK2 (0.41) ROCK2BACE1CYP3A4CYP2C19MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130004481-A1 ANTICANCER THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 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-20130004481-A1 ANTICANCER THERAPY AURKA, AURKC, AURKB ROCK2 62/4885BACE1 3523/4885CYP3A4 4115/4885

“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.