SCHEMBL566092

SCHEMBL566092

CC(C)OCCOc1nc(Cl)c(C2CC2)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.46
PDE4A P27815 6/20 0.46
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
RET P07949 6/20 0.36
MET P08581 2/20 0.35
IDH1 O75874 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33

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
SCHEMBL565703 0.86 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DRET
SCHEMBL10235413 0.84 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DMET
SCHEMBL566171 0.79 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DIDH1
SCHEMBL566218 0.78 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DMET
SCHEMBL566130 0.76 CNR2 (0.41) CNR1CNR2
SCHEMBL10186946 0.73 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DRET
SCHEMBL566128 0.72 SMN1; SMN2 (0.49) KDM4EGAA
SCHEMBL10235411 0.70 PDE4A (0.54) PDE4BPDE4AKDM4EGAACNR1
SCHEMBL23860761 0.68 KHK (0.47) KDM4EGAA
SCHEMBL10186952 0.65 HPGD (0.37) PDE4BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 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 (3 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE4C 2197/4885

“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.