SCHEMBL2589855

SCHEMBL2589855

COc1cc(CCN(Cc2ccc(N3CCN(C(=O)O)C(C(C)(C)C)C3)cc2)C(=O)OC(C)(C)C)c(Cl)cc1N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.36
SUV39H2 Q9H5I1 3/20 0.34
CHEK1 O14757 2/20 0.32
P2RX7 Q99572 1/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL2589853 0.84 SMN1; SMN2 (0.43) SUV39H2P2RX7
SCHEMBL14774801 0.77 KMT2A (0.41)
SCHEMBL14968865 0.75 HTR4 (0.41) HTR4
SCHEMBL2595369 0.73 LPAR1 (0.39) HTR4CHEK1
SCHEMBL2596258 0.73 LMNA (0.47) SUV39H2
SCHEMBL16752913 0.73 SLC6A9 (0.40) NR1H2NR1H3
SCHEMBL14774902 0.72 CHEK1 (0.63) CHEK1
SCHEMBL2595482 0.71 SUV39H2 (0.42) SUV39H2
SCHEMBL14965437 0.70 HTR4 (0.41) HTR4SUV39H2
SCHEMBL2589950 0.68 CHEK1 (0.63) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E HTR4 411/4885SUV39H2 3312/4885CHEK1 105/4885

“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.