SCHEMBL1769946

SCHEMBL1769946

OCc1ccncc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.53
CYP11B1 P15538 2/20 0.53
RPS6KA3 P51812 2/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
TNF P01375 1/20 0.46
GAA P10253 1/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
KCNA5 P22460 3/20 0.44
KCNH2 Q12809 2/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2E1 P05181 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C8 P10632 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2A6 P11509 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2B6 P20813 3/20 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
SCHEMBL5108906 0.84 GPBAR1 (0.48) CYP11B2CYP11B1RPS6KA3TNFGAA
SCHEMBL7014746 0.82 DPP4 (0.59) RPS6KA3CCNCCDK8TNFKCNA5
SCHEMBL12320473 0.82 CYP1A2 (0.46) CYP11B2CYP11B1RPS6KA3CCNCCDK8
SCHEMBL1770133 0.81 CYP11B2 (0.51) CYP11B2CYP11B1RPS6KA3CCNCCDK8
SCHEMBL30851377 0.81 CYP11B2 (0.54) CYP11B2CYP11B1RPS6KA3CCNCCDK8
SCHEMBL17091623 0.81 CYP11B2 (0.54) CYP11B2CYP11B1RPS6KA3CCNCCDK8
SCHEMBL25186679 0.79 CYP1A2 (0.49) CYP11B2CYP11B1RPS6KA3CCNCCDK8
SCHEMBL477395 0.78 KCNA5 (0.61) CYP11B2CYP11B1GAAPDCD1CD274
SCHEMBL1770281 0.78 GPBAR1 (0.43) CYP11B2CYP11B1RPS6KA3
SCHEMBL1770144 0.78 CYP11B1 (0.44) CYP11B2CYP11B1PDCD1CD274CYP1A2

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 15 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
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US claimed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US claimed
CN-102712589-A Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2012-10-03 CN claimed
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP claimed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO 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-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
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
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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 (2 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 CYP11B2 50/4885CYP11B1 80/4885RPS6KA3 3229/4885
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CYP11B1 2/4885RPS6KA3 1352/4885

“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.