SCHEMBL1769848

SCHEMBL1769848

CC(O)c1ccncc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.49
RPS6KA3 P51812 2/20 0.44
CYP11B2 P19099 1/20 0.41
AHR P35869 4/20 0.41
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
APP P05067 1/20 0.39
NPY5R Q15761 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL17572980 0.88 RPS6KA3 (0.54) SLC22A12RPS6KA3AHRAKR1C3AKR1C2
SCHEMBL6921683 0.87 RPS6KA3 (0.51) SLC22A12RPS6KA3CYP11B2
SCHEMBL17121966 0.85 SLC22A12 (0.46) SLC22A12RPS6KA3AHRAKR1C3AKR1C2
SCHEMBL14225099 0.84 SLC22A12 (0.55) SLC22A12RPS6KA3CYP11B2
SCHEMBL1769970 0.80 RPS6KA3 (0.46) RPS6KA3CYP11B2
SCHEMBL6922179 0.78 CCNC (0.50) SLC22A12RPS6KA3CYP11B2MAPK9
SCHEMBL14225109 0.77 RPS6KA3 (0.52) SLC22A12RPS6KA3CYP11B2FLT3GSK3B
SCHEMBL2495086 0.75 GAA (0.43) RPS6KA3CYP11B2CYP3A4CYP2D6SLC6A2
SCHEMBL2111078 0.75 GAA (0.43) RPS6KA3CYP11B2CYP3A4CYP2D6SLC6A2
SCHEMBL1769844 0.74 CYP11B2 (0.64) SLC22A12CYP11B2CYP3A4CYP2D6

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 13 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
CN-102712589-B Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2015-05-13 CN 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
CN-102712589-B Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2015-05-13 CN 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-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
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP 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 1352/4885CYP11B2 4/4885

“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.