SCHEMBL1605339

SCHEMBL1605339

CCS(=O)(=O)Nc1cncc(-c2c(C#N)c3ccc(C)cc3n2C)c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.80
CYP11B1 P15538 2/20 0.58
CYP19A1 P11511 1/20 0.58
MAOA P21397 1/20 0.45
PGR P06401 4/20 0.39
AR P10275 2/20 0.39
ALDH1A1 P00352 2/20 0.36
THRB P10828 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 3/20 0.35
PIK3CB P42338 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 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
SCHEMBL1606229 0.89 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1MAOAPGR
SCHEMBL1687013 0.88 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1MAOAPGR
SCHEMBL19417473 0.81 CYP11B2 (0.55) CYP11B2CYP11B1CYP19A1PGRAR
SCHEMBL7949460 0.78 CYP11B2 (0.78) CYP11B2CYP11B1CYP19A1MAOAAR
SCHEMBL3683231 0.77 CYP11B2 (0.53) CYP11B2CYP11B1CYP19A1MAOAALDH1A1
SCHEMBL7946991 0.77 CYP11B2 (0.77) CYP11B2CYP11B1CYP19A1ALDH1A1THRB
SCHEMBL1606929 0.77 CYP11B2 (0.78) CYP11B2CYP11B1CYP19A1MAOAPGR
SCHEMBL12107168 0.76 CYP11B2 (0.48) CYP11B2CYP11B1CYP19A1PGRAR
SCHEMBL1606931 0.76 CYP11B2 (0.49) CYP11B2PGRARALDH1A1THRB
SCHEMBL1606130 0.74 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1MAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP 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-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
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 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-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

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 CYP11B2 13/4885CYP11B1 14/4885CYP19A1 68/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885CYP19A1 68/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP19A1 55/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP19A1 55/4885

“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.