SCHEMBL4452785

SCHEMBL4452785

COC(=O)c1cccc2c1CN(c1ncnc3c(OC)c(OC)c(OC)cc13)CC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.44
RPS6KB1 P23443 2/20 0.44
AURKB Q96GD4 1/20 0.44
SYK P43405 1/20 0.42
C5AR1 P21730 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
PDGFRB P09619 9/20 0.41
SCN9A Q15858 1/20 0.41
PDGFRA P16234 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KIT P10721 2/20 0.38
FLT3 P36888 2/20 0.38
PDE5A O76074 3/20 0.38

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
SCHEMBL5356662 0.86 KDM4E (0.48) MAPTKDM4EMAPK1SCN9ANPSR1
SCHEMBL14407966 0.81 MAPT (0.56) MAPTKDM4EMAPK1NPSR1PDE5A
SCHEMBL5368062 0.79 ALDH1A1 (0.40) MAPTKDM4EMAPK1NPSR1
SCHEMBL8012169 0.77 PDE5A (0.48) MAPTKDM4EMAPK1NPSR1PDE5A
SCHEMBL5356384 0.76 AURKA (0.53) AURKARPS6KB1AURKBMAPTKDM4E
SCHEMBL8374872 0.73 PDE5A (0.51) MAPTKDM4EPDE5A
SCHEMBL697731 0.72 SYK (0.45) SYKC5AR1MAPK1SCN9A
SCHEMBL5358500 0.72 KDM4E (0.47) AURKARPS6KB1AURKBMAPTKDM4E
SCHEMBL5361326 0.72 KDM4E (0.46) AURKARPS6KB1AURKBMAPTKDM4E
SCHEMBL5788524 0.71 MAPT (0.35) AURKARPS6KB1AURKBMAPTKDM4E

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-20090099175-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2009-04-16 US disclosed
US-20090099175-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2009-04-16 US disclosed
US-20090099175-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2009-04-16 US disclosed
EP-1989195-A1 PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-12 EP disclosed
WO-2007103260-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed
WO-2007103260-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 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-20090099175-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A AURKA 3724/4885RPS6KB1 3955/4885AURKB 3143/4885

“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.