SCHEMBL10186753

SCHEMBL10186753

[C-]#[N+]c1cc(Cl)c(Oc2ccc3c(c2C)COB3O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
RPS6KA1 Q15418 6/20 0.35
AKT1 P31749 5/20 0.35
PRKCA P17252 2/20 0.35
PDE4B Q07343 8/20 0.34
PDE4A P27815 7/20 0.34
PDE4C Q08493 7/20 0.34
PDE4D Q08499 7/20 0.34
GRK2 P25098 1/20 0.32

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
SCHEMBL10186696 0.90 RPS6KA1 (0.36) ROCK2ROCK1RPS6KA1AKT1PRKCA
SCHEMBL10186744 0.83 PDE4B (0.37) ROCK2ROCK1PDE4BPDE4APDE4C
SCHEMBL10186760 0.80 ROCK2 (0.40) ROCK2ROCK1RPS6KA1AKT1PRKCA
SCHEMBL10186759 0.80 ROCK2 (0.36) ROCK2ROCK1RPS6KA1AKT1PDE4B
SCHEMBL10186678 0.78 PDE4B (0.34) ROCK2ROCK1RPS6KA1AKT1PRKCA
SCHEMBL10186624 0.77
SCHEMBL10186697 0.77 PDE4B (0.39) ROCK2ROCK1RPS6KA1AKT1PRKCA
SCHEMBL10186768 0.77 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL10186743 0.76 PDE4B (0.32) ROCK2ROCK1PDE4BPDE4APDE4C
SCHEMBL10186677 0.75 PDE4B (0.33) ROCK2ROCK1RPS6KA1AKT1PDE4B

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 ROCK2 2013/4885ROCK1 2703/4885RPS6KA1 3630/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 ROCK2 2013/4885ROCK1 2703/4885RPS6KA1 3630/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 ROCK2 2013/4885ROCK1 2703/4885RPS6KA1 3630/4885

“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.