SCHEMBL1606229

SCHEMBL1606229

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 1.00
CYP11B1 P15538 2/20 0.73
CYP19A1 P11511 1/20 0.73
MAOA P21397 1/20 0.60
ALPL P05186 6/20 0.41
PGR P06401 6/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL1605339 0.89 CYP11B2 (0.80) CYP11B2CYP11B1CYP19A1MAOAPGR
SCHEMBL7949460 0.88 CYP11B2 (0.78) CYP11B2CYP11B1CYP19A1MAOAALPL
SCHEMBL1606929 0.87 CYP11B2 (0.78) CYP11B2CYP11B1CYP19A1MAOAALPL
SCHEMBL1687013 0.87 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1MAOAPGR
SCHEMBL1606130 0.85 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL30385209 0.85 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL1606966 0.83 CYP11B2 (0.71) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL1607174 0.83 CYP11B2 (0.71) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL7948350 0.82 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1MAOAALPL
SCHEMBL19417552 0.82 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1MAOAALPL

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 18 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-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-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-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-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
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 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.