SCHEMBL14152255

SCHEMBL14152255

CC(O)c1c(F)cncc1-c1cc2ccc(C#N)cc2o1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.62
SLC22A12 Q96S37 7/20 0.36
CYP11B1 P15538 2/20 0.34
PGR P06401 3/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
CYP19A1 P11511 1/20 0.32
CETP P11597 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL6921831 0.91 CYP11B2 (0.62) CYP11B2SLC22A12CYP11B1JAK2JAK3
SCHEMBL14151820 0.83 CYP11B2 (0.73) CYP11B2
SCHEMBL1769941 0.79 CYP11B2 (0.53) CYP11B2SLC22A12CYP11B1
SCHEMBL6921215 0.77 CYP11B2 (1.00) CYP11B2
SCHEMBL6921318 0.76 CYP11B2 (0.73) CYP11B2
SCHEMBL1769883 0.71 PLAU (0.41) CYP11B2SLC22A12CYP11B1PGRJAK2
SCHEMBL6920241 0.71 CYP11B2 (0.39) CYP11B2SLC22A12CYP11B1JAK2JAK3
SCHEMBL6920044 0.70 CYP11B2 (0.65) CYP11B2
SCHEMBL1769875 0.66 CYP11B2 (0.51) CYP11B2CYP11B1
SCHEMBL14152211 0.65 CYP11B2 (0.50) CYP11B2SLC22A12CYP11B1

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 2 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

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 4/4885SLC22A12 2415/4885CYP11B1 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.