SCHEMBL3745949

SCHEMBL3745949

COc1cc(-c2cncc(CNS(=O)(=O)C(F)(F)F)c2)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.42
CYP11B2 P19099 8/20 0.42
PGR P06401 2/20 0.39
AR P10275 1/20 0.39
PRMT6 Q96LA8 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
ALPL P05186 2/20 0.38
DYRK1A Q13627 1/20 0.37
CHEK1 O14757 1/20 0.36
PRKCQ Q04759 1/20 0.36
CACNA1H O95180 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL753540 0.87 DYRK1A (0.48) CYP11B1CYP11B2PGRARSLC22A12
SCHEMBL752103 0.86 CYP11B2 (0.48) CYP11B1CYP11B2PGRARSLC22A12
SCHEMBL14713212 0.78 SMN1; SMN2 (0.48) CYP11B1CYP11B2PGRARSLC22A12
SCHEMBL747609 0.77 CYP11B2 (0.47) CYP11B1CYP11B2
SCHEMBL748014 0.76 ALPL (0.51) CYP11B1CYP11B2PGRARALPL
SCHEMBL747403 0.73 ALPL (0.51) CYP11B1CYP11B2ALPLPRKCQ
SCHEMBL746772 0.71 CYP11B2 (0.54) CYP11B1CYP11B2
SCHEMBL30385546 0.70 CYP11B2 (0.48) CYP11B1CYP11B2PGRARSLC22A12
SCHEMBL3709123 0.70 CYP11B2 (0.48) CYP11B1CYP11B2PGRARSLC22A12
SCHEMBL748161 0.70 CYP11B1 (0.63) CYP11B1CYP11B2PGRARSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US claimed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US claimed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US disclosed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US disclosed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-02-07 US disclosed
US-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-02-07 US disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 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-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B1 2/4885CYP11B2 4/4885PGR 233/4885
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B1 2/4885CYP11B2 4/4885PGR 233/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B1 2/4885CYP11B2 4/4885PGR 233/4885

“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.