SCHEMBL1606987

SCHEMBL1606987

CC(O)c1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.65
CYP11B1 P15538 6/20 0.65
MAOA P21397 4/20 0.65
CYP19A1 P11511 1/20 0.57
PGR P06401 1/20 0.35
NTRK1 P04629 1/20 0.34
TBXAS1 P24557 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MAT2A P31153 1/20 0.32

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
SCHEMBL1605324 0.89 CYP11B2 (0.65) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1605285 0.83 CYP11B2 (0.72) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1606814 0.82 CYP11B2 (0.71) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1606966 0.81 CYP11B2 (0.71) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1606406 0.81 CYP11B2 (0.58) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1607174 0.81 CYP11B2 (0.71) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL19417553 0.81 CYP11B2 (0.57) CYP11B2CYP11B1MAOACYP19A1PIK3CD
SCHEMBL1605831 0.80 CYP11B2 (0.65) CYP11B2CYP11B1MAOACYP19A1PGR
SCHEMBL3678336 0.80 CYP11B2 (0.64) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1606810 0.79 CYP11B2 (1.00) CYP11B2CYP11B1MAOACYP19A1NTRK1

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 11 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
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN 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-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 14/4885MAOA 193/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885MAOA 193/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885MAOA 198/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885MAOA 198/4885

“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.