SCHEMBL10186674

SCHEMBL10186674

[C-]#[N+]c1c(C)cc(Oc2cc3c(cc2C)B(O)OC3)nc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.37
PDE4A P27815 6/20 0.37
PDE4C Q08493 6/20 0.37
PDE4D Q08499 6/20 0.37
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
PDE3A Q14432 1/20 0.34
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE7A Q13946 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
SCHEMBL10186747 0.93 PDE4B (0.35) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL10186649 0.83 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL10186700 0.82 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL10186677 0.81 PDE4B (0.33) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL10186761 0.80 ROCK2 (0.40) PDE4BPDE4APDE4CPDE4D
SCHEMBL10186680 0.79 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL10186742 0.78 PDE4B (0.36) PDE4BPDE4APDE4CPDE4D
SCHEMBL10186675 0.78 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE1A
SCHEMBL10186672 0.77 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL10186699 0.76 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DCA1

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-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

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.