SCHEMBL6921971

SCHEMBL6921971

CC(O)c1ccncc1-c1ccc(C#N)cc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.54
RPS6KA3 P51812 1/20 0.43
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
EGLN2 Q96KS0 5/20 0.38
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
CHUK O15111 1/20 0.35
GRM5 P41594 1/20 0.34

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
SCHEMBL21758473 0.80 SLC22A12 (0.56) SLC22A12CYP11B1CYP11B2EGLN2CYP3A4
SCHEMBL6921694 0.79 SLC22A12 (0.50) SLC22A12RPS6KA3CYP11B1CYP11B2
SCHEMBL21397227 0.78 SLC22A12 (0.54) SLC22A12CYP11B1CYP11B2EGLN2CYP3A4
SCHEMBL6919942 0.78 CYP11B2 (0.66) SLC22A12RPS6KA3CYP11B1CYP11B2CYP3A4
SCHEMBL14225083 0.75 CYP11B1 (0.58) SLC22A12RPS6KA3CYP11B1CYP11B2
SCHEMBL30200169 0.75 PDE2A (0.39) SLC22A12CYP11B1CYP11B2EGLN2
SCHEMBL30199155 0.75 PDE2A (0.39) SLC22A12CYP11B1CYP11B2EGLN2
SCHEMBL29098047 0.75 PDE2A (0.39) SLC22A12CYP11B1CYP11B2EGLN2
SCHEMBL29098018 0.75 PDE2A (0.39) SLC22A12CYP11B1CYP11B2EGLN2
SCHEMBL29098016 0.75 PDE2A (0.39) SLC22A12CYP11B1CYP11B2EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP claimed
EP-2993169-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2016-03-09 EP disclosed
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
CN-102712589-A Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2012-10-03 CN disclosed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO 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 (1 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-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 SLC22A12 2415/4885RPS6KA3 1352/4885CYP11B1 2/4885

“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.