SCHEMBL6920046

SCHEMBL6920046

CC(O)c1ccncc1-c1ccc(C#N)c(OC(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.44
CYP11B2 P19099 6/20 0.40
CYP11B1 P15538 5/20 0.40
RPS6KA3 P51812 1/20 0.38
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
AAK1 Q2M2I8 1/20 0.36
XDH P47989 1/20 0.35
PRKCQ Q04759 2/20 0.35
PIP4K2A P48426 1/20 0.34
ALK Q9UM73 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
SCHEMBL1769849 0.87 SLC22A12 (0.56) SLC22A12CYP11B2CYP11B1PGRAR
SCHEMBL14225083 0.82 CYP11B1 (0.58) SLC22A12CYP11B2CYP11B1RPS6KA3
SCHEMBL6920203 0.81 CYP11B2 (0.44) SLC22A12CYP11B2CYP11B1RPS6KA3PGR
SCHEMBL17091637 0.80 CYP11B2 (0.43) SLC22A12CYP11B2CYP11B1PGRAR
SCHEMBL14225099 0.80 SLC22A12 (0.55) SLC22A12CYP11B2CYP11B1RPS6KA3AR
SCHEMBL1769864 0.78 SLC22A12 (0.54) SLC22A12CYP11B2CYP11B1RPS6KA3PGR
SCHEMBL6921694 0.73 SLC22A12 (0.50) SLC22A12CYP11B2CYP11B1RPS6KA3XDH
SCHEMBL1769869 0.73 SLC22A12 (0.52) SLC22A12PGRARPRKCQPIP4K2A
SCHEMBL1769935 0.73 SLC22A12 (0.52) SLC22A12PGRARPRKCQ
SCHEMBL6919942 0.72 CYP11B2 (0.66) SLC22A12CYP11B2CYP11B1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2415/4885CYP11B2 4/4885CYP11B1 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.