SCHEMBL6921683

SCHEMBL6921683

CC(O)c1ccncc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 4/20 0.51
KDR P35968 1/20 0.43
EPHB4 P54760 2/20 0.41
CYP11B2 P19099 3/20 0.39
PIK3CA P42336 1/20 0.39
PTGS2 P35354 2/20 0.39
DPP4 P27487 1/20 0.39
SLC22A12 Q96S37 2/20 0.38
FYN P06241 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
CYP11B1 P15538 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1769848 0.87 SLC22A12 (0.49) RPS6KA3CYP11B2SLC22A12
SCHEMBL14225109 0.84 RPS6KA3 (0.52) RPS6KA3CYP11B2PTGS2SLC22A12CYP11B1
SCHEMBL14225099 0.80 SLC22A12 (0.55) RPS6KA3CYP11B2SLC22A12CYP11B1
SCHEMBL14225083 0.77 CYP11B1 (0.58) RPS6KA3CYP11B2SLC22A12CYP11B1
SCHEMBL1769970 0.77 RPS6KA3 (0.46) RPS6KA3CYP11B2CYP11B1
SCHEMBL17572980 0.75 RPS6KA3 (0.54) RPS6KA3SLC22A12
SCHEMBL6922179 0.74 CCNC (0.50) RPS6KA3CYP11B2SLC22A12CYP11B1
SCHEMBL19955381 0.72 CYP11B2 (0.49) RPS6KA3KDREPHB4CYP11B2SLC22A12
SCHEMBL17121966 0.72 SLC22A12 (0.46) RPS6KA3SLC22A12
SCHEMBL25208193 0.71 RPS6KA3 (0.44) RPS6KA3CYP11B2CYP11B1

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
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-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
CN-102712589-A Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2012-10-03 CN 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 RPS6KA3 1352/4885KDR 1147/4885EPHB4 1745/4885

“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.