SCHEMBL164337

SCHEMBL164337

COC(=O)c1cccc(C(=O)N2CCCC2c2ccnn2C)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.52
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
RHOA P61586 1/20 0.43
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL165920 0.88 ROCK2 (0.48) ROCK2PRMT5WDR77ALDH1A1KDM4E
SCHEMBL169074 0.82 ROCK2 (0.58) ROCK2HSP90AA1HSP90AB1HSD11B1ALDH1A1
SCHEMBL166794 0.80 ROCK2 (0.60) ROCK2HSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL166098 0.79 KDM4E (0.66) ROCK2PRMT5WDR77ALDH1A1KDM4E
SCHEMBL165106 0.79 ROCK2 (0.50) ROCK2HSP90AA1HSP90AB1RHOAGRM5
SCHEMBL175142 0.79 JMJD6 (0.50) ROCK2HSP90AA1HSP90AB1RHOAALDH1A1
SCHEMBL174578 0.77 GRM5 (0.56) ROCK2GRM5
SCHEMBL20826492 0.77 KMT2A (0.58) ROCK2RHOAALDH1A1KDM4EMEN1
SCHEMBL13753514 0.77 KMT2A (0.58) ROCK2RHOAALDH1A1KDM4EMEN1
SCHEMBL164861 0.76 POLB (0.53) ROCK2HSP90AA1HSP90AB1RHOAALDH1A1

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
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 ROCK2 1674/4885PRMT5 2484/4885WDR77 3472/4885

“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.