SCHEMBL1770133

SCHEMBL1770133

OCc1ccncc1-c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.51
CYP11B1 P15538 2/20 0.51
SLC22A12 Q96S37 1/20 0.50
CYP17A1 P05093 1/20 0.45
CYP3A4 P08684 1/20 0.45
PIM1 P11309 3/20 0.44
CDK2 P24941 3/20 0.44
GSK3B P49841 3/20 0.44
PRKACA P17612 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
CDC7 O00311 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
RPS6KA3 P51812 5/20 0.43
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
DAPK3 O43293 2/20 0.42
CHEK2 O96017 2/20 0.42

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
SCHEMBL17091623 0.82 CYP11B2 (0.54) CYP11B2CYP11B1SLC22A12GSK3BRPS6KA3
SCHEMBL1769946 0.81 CYP11B2 (0.53) CYP11B2CYP11B1SLC22A12CYP3A4RPS6KA3
SCHEMBL17091627 0.76 CYP11B2 (0.56) CYP11B2CYP11B1SLC22A12RPS6KA3ABL1
SCHEMBL7396409 0.76 SLC22A12 (0.57) CYP11B2CYP11B1SLC22A12CYP17A1CYP3A4
SCHEMBL7396406 0.76 SLC22A12 (0.54) CYP11B2CYP11B1SLC22A12CYP17A1CYP3A4
SCHEMBL20371450 0.75 SLC22A12 (0.53) CYP11B2CYP11B1SLC22A12CYP17A1CYP3A4
SCHEMBL17091617 0.75 CSNK1D (0.45) CYP11B2CYP11B1SLC22A12CYP17A1CYP3A4
SCHEMBL28016814 0.74 GPBAR1 (0.44) CYP11B2CYP11B1ROCK2RPS6KA3
SCHEMBL18621557 0.73 PDCD1 (0.44) PIM1CDK2GSK3BPRKACAIRAK4
SCHEMBL27628510 0.73 CYP11B1 (0.43) CYP11B2CYP11B1GSK3BRPS6KA3GSK3A

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 15 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
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US claimed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US claimed
CN-102712589-A Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2012-10-03 CN claimed
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP claimed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO 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
CN-102712589-B Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2015-05-13 CN 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
CN-102712589-A Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2012-10-03 CN 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 2/4885SLC22A12 2415/4885

“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.