SCHEMBL10186667

SCHEMBL10186667

Cc1cc(C#N)c(Oc2ccc3c(c2C)COB3O)nc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
PDE4B Q07343 16/20 0.44
PDE4A P27815 10/20 0.43
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
CHRM1 P11229 1/20 0.37
ADRA1A P35348 1/20 0.37
PDE1A P54750 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE3A Q14432 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10186750 0.90 PDE4B (0.49) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL10186634 0.84 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186683 0.82 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186658 0.81 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186668 0.81 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186748 0.80 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186636 0.80 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186768 0.78 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10186678 0.77 PDE4B (0.34) PDE4BPDE4APDE4CPDE4D
SCHEMBL10186766 0.77 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCHRM1

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 ALDH1A1 3735/4885PDE4B 936/4885PDE4A 1744/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 ALDH1A1 3735/4885PDE4B 936/4885PDE4A 1744/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 ALDH1A1 3735/4885PDE4B 936/4885PDE4A 1744/4885

“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.