SCHEMBL748161

SCHEMBL748161

COc1cc(-c2cncc(N)c2)ccc1C#N

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.63
CYP11B2 P19099 13/20 0.63
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PGR P06401 1/20 0.48
AR P10275 1/20 0.48
NTRK1 P04629 1/20 0.46
KIT P10721 1/20 0.46
PIK3CA P42336 1/20 0.46
PRKCQ Q04759 2/20 0.43
CHEK1 O14757 1/20 0.43
SLC22A12 Q96S37 1/20 0.43

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
SCHEMBL3745480 0.80 CYP11B1 (0.49) CYP11B1CYP11B2PGRARPRKCQ
SCHEMBL748530 0.78 CYP11B2 (0.68) CYP11B1CYP11B2
SCHEMBL20460039 0.78 CYP11B2 (1.00) CYP11B1CYP11B2
SCHEMBL1642615 0.74 KDM4E (0.79) KDM4EUSP2ALDH1A1PGRAR
SCHEMBL747403 0.74 ALPL (0.51) CYP11B1CYP11B2PRKCQ
SCHEMBL7629786 0.73 AR (0.56) KDM4EUSP2ALDH1A1PGRAR
SCHEMBL753540 0.73 DYRK1A (0.48) CYP11B1CYP11B2PGRARPRKCQ
SCHEMBL34472219 0.72 AR (0.55) CYP11B1CYP11B2KDM4EUSP2ALDH1A1
SCHEMBL34471191 0.72 AR (0.55) KDM4EUSP2ALDH1A1PGRAR
SCHEMBL27439715 0.72 AR (0.55) CYP11B1CYP11B2KDM4EUSP2ALDH1A1

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-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
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 CYP11B1 2/4885CYP11B2 4/4885KDM4E 993/4885
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B1 2/4885CYP11B2 4/4885KDM4E 993/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B1 2/4885CYP11B2 4/4885KDM4E 993/4885

“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.