SCHEMBL748014

SCHEMBL748014

COc1cc(-c2cncc(NS(=O)(=O)CC(F)(F)F)c2)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPL P05186 13/20 0.51
CYP17A1 P05093 1/20 0.46
PGR P06401 2/20 0.43
CYP11B2 P19099 3/20 0.42
CYP11B1 P15538 2/20 0.42
NR3C1 P04150 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL747403 0.88 ALPL (0.51) ALPLCYP17A1CYP11B2CYP11B1
SCHEMBL746742 0.84 CYP11B2 (0.49) ALPLPGRCYP11B2CYP11B1
SCHEMBL745240 0.79 ALPL (0.50) ALPLCYP17A1
SCHEMBL3745949 0.76 CYP11B1 (0.42) ALPLPGRCYP11B2CYP11B1AR
SCHEMBL3709123 0.74 CYP11B2 (0.48) ALPLPGRCYP11B2CYP11B1NR3C1
SCHEMBL30385546 0.74 CYP11B2 (0.48) ALPLPGRCYP11B2CYP11B1NR3C1
SCHEMBL752103 0.74 CYP11B2 (0.48) ALPLPGRCYP11B2CYP11B1NR3C2
SCHEMBL3477444 0.73 CYP11B2 (0.53) ALPLCYP11B2CYP11B1
SCHEMBL753540 0.72 DYRK1A (0.48) ALPLPGRCYP11B2CYP11B1NR3C1
SCHEMBL14713212 0.72 SMN1; SMN2 (0.48) ALPLPGRCYP11B2CYP11B1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
EP-2429995-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-03-21 EP disclosed
WO-2010130796-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 WO 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 ALPL 3058/4885CYP17A1 3/4885PGR 233/4885
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 ALPL 3058/4885CYP17A1 3/4885PGR 233/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 ALPL 3058/4885CYP17A1 3/4885PGR 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.