SCHEMBL1605657

SCHEMBL1605657

CC(C)(C)OC(=O)c1ccc(C(=O)n2c(-c3cccnc3)cc3cc(C#N)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.43
PDK2 Q15119 1/20 0.42
CYP11B2 P19099 6/20 0.41
CYP11B1 P15538 4/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 2/20 0.38
NR1H3 Q13133 1/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKCA P17252 1/20 0.36
TTK P33981 1/20 0.36
ACLY P53396 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL1605020 0.93 NR1H2 (0.42) NR1H2PDK2CYP11B2CYP11B1CYP17A1
SCHEMBL1605701 0.90 NR1H2 (0.40) NR1H2PDK2CYP11B2CYP11B1CYP17A1
SCHEMBL1606110 0.90 CYP11B2 (0.47) NR1H2CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL1605801 0.87 NR1H2 (0.55) NR1H2CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL1606336 0.86 EGFR (0.48) CYP11B2CYP11B1CYP17A1ABL1BCR
SCHEMBL1606203 0.86 CYP11B2 (0.46) NR1H2CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL1606243 0.83 CYP11B2 (0.44) CYP11B2CYP11B1CYP17A1CYP19A1ABL1
SCHEMBL1605932 0.83 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CYP19A1ABL1
SCHEMBL1605018 0.83 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1CYP19A1ABL1
SCHEMBL1605623 0.83 KLK3 (0.52) CYP11B2CYP11B1CYP17A1SCN9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (4 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NR1H2 297/4885PDK2 1126/4885CYP11B2 13/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NR1H2 297/4885PDK2 1126/4885CYP11B2 13/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NR1H2 303/4885PDK2 960/4885CYP11B2 12/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 NR1H2 303/4885PDK2 960/4885CYP11B2 12/4885

“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.