SCHEMBL1605285

SCHEMBL1605285

Cc1cncc(-c2c(C#N)c3ccc(Cl)cc3n2C)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.72
MAOA P21397 4/20 0.72
CYP11B1 P15538 3/20 0.72
CYP19A1 P11511 1/20 0.62
TBXAS1 P24557 1/20 0.35
NTRK1 P04629 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 1/20 0.34
STAT3 P40763 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
MAT2A P31153 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
SCHEMBL1606814 0.87 CYP11B2 (0.71) CYP11B2MAOACYP11B1CYP19A1NTRK1
SCHEMBL1606810 0.84 CYP11B2 (1.00) CYP11B2MAOACYP11B1CYP19A1TBXAS1
SCHEMBL1606125 0.84 CYP11B2 (0.67) CYP11B2MAOACYP11B1CYP19A1TBXAS1
SCHEMBL1605767 0.84 CYP11B2 (0.67) CYP11B2MAOACYP11B1CYP19A1NTRK1
SCHEMBL1606215 0.84 CYP11B2 (0.69) CYP11B2MAOACYP11B1CYP19A1TBXAS1
SCHEMBL1605324 0.83 CYP11B2 (0.65) CYP11B2MAOACYP11B1CYP19A1NTRK1
SCHEMBL1605831 0.83 CYP11B2 (0.65) CYP11B2MAOACYP11B1CYP19A1TBXAS1
SCHEMBL1606987 0.83 CYP11B2 (0.65) CYP11B2MAOACYP11B1CYP19A1TBXAS1
SCHEMBL3678336 0.82 CYP11B2 (0.64) CYP11B2MAOACYP11B1CYP19A1TBXAS1
SCHEMBL1606323 0.82 CYP11B2 (0.64) CYP11B2MAOACYP11B1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
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-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
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-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 CYP11B2 13/4885MAOA 193/4885CYP11B1 14/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885MAOA 193/4885CYP11B1 14/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885MAOA 198/4885CYP11B1 15/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885MAOA 198/4885CYP11B1 15/4885

“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.