SCHEMBL6919942

SCHEMBL6919942

CC(O)c1ccncc1-c1ccc2cc(C#N)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.66
CYP11B1 P15538 5/20 0.66
CYP17A1 P05093 1/20 0.52
SLC22A12 Q96S37 8/20 0.42
RPS6KA3 P51812 1/20 0.39
ABL1 P00519 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL6921694 0.86 SLC22A12 (0.50) CYP11B2CYP11B1SLC22A12RPS6KA3
SCHEMBL6922179 0.82 CCNC (0.50) CYP11B2CYP11B1CYP17A1SLC22A12RPS6KA3
SCHEMBL1769844 0.79 CYP11B2 (0.64) CYP11B2CYP11B1CYP17A1SLC22A12CYP1A2
SCHEMBL6920203 0.78 CYP11B2 (0.44) CYP11B2CYP11B1SLC22A12RPS6KA3ABL1
SCHEMBL6921971 0.78 SLC22A12 (0.54) CYP11B2CYP11B1SLC22A12RPS6KA3CYP3A4
SCHEMBL1769941 0.78 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1SLC22A12ABL1
SCHEMBL14225083 0.77 CYP11B1 (0.58) CYP11B2CYP11B1SLC22A12RPS6KA3
SCHEMBL14225099 0.77 SLC22A12 (0.55) CYP11B2CYP11B1SLC22A12RPS6KA3ABL1
SCHEMBL1769849 0.75 SLC22A12 (0.56) CYP11B2CYP11B1SLC22A12
SCHEMBL3068153 0.74 SLC22A12 (0.50) CYP11B2CYP11B1CYP17A1SLC22A12CYP1A2

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 8 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
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
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 CYP11B2 4/4885CYP11B1 2/4885CYP17A1 3/4885

“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.