SCHEMBL6920943

SCHEMBL6920943

CC(C)(O)c1c(F)cncc1-c1ccc2cc(C#N)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.53
CYP11B1 P15538 4/20 0.53
CYP17A1 P05093 1/20 0.44
SLC22A12 Q96S37 11/20 0.43
L3MBTL1 Q9Y468 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL6921563 0.81 CYP11B1 (0.54) CYP11B2CYP11B1SLC22A12
SCHEMBL6920241 0.79 CYP11B2 (0.39) CYP11B2CYP11B1SLC22A12L3MBTL1
SCHEMBL6921418 0.79 CYP11B2 (0.44) CYP11B2CYP11B1SLC22A12
SCHEMBL1769941 0.78 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1SLC22A12ABL1
SCHEMBL6921274 0.78 CYP11B2 (0.50) CYP11B2CYP11B1SLC22A12
SCHEMBL14152240 0.76 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1SLC22A12ABL1
SCHEMBL6919942 0.68 CYP11B2 (0.66) CYP11B2CYP11B1CYP17A1SLC22A12ABL1
SCHEMBL31325731 0.65 CYP11B1 (0.41) CYP11B2CYP11B1CYP17A1SLC22A12
SCHEMBL24617136 0.64 KIF11 (0.70) CYP11B2CYP11B1CYP17A1
SCHEMBL28112956 0.64 CYP11B1 (0.46) CYP11B2CYP11B1CYP17A1

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 5 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-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
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.