SCHEMBL1605385

SCHEMBL1605385

Cc1c(-c2cccnc2)n(Cc2ccc(C#N)cc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.55
TBXAS1 P24557 4/20 0.53
AR P10275 2/20 0.52
ESR1 P03372 1/20 0.46
CYP11B1 P15538 4/20 0.46
MAPK1 P28482 1/20 0.44
SLC2A1 P11166 1/20 0.43
SLC2A3 P11169 1/20 0.43
SLC2A4 P14672 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAOA P21397 1/20 0.42
CYP19A1 P11511 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1606366 0.88 CYP11B2 (0.63) CYP11B2TBXAS1ESR1MAPK1CYP19A1
SCHEMBL1605560 0.88 CYP11B2 (0.52) CYP11B2TBXAS1ARCYP11B1MAPK1
SCHEMBL1606008 0.87 CYP11B2 (0.52) CYP11B2TBXAS1ARCYP11B1MAOA
SCHEMBL1604919 0.86 CYP11B2 (0.49) CYP11B2TBXAS1ARCYP11B1SLC2A1
SCHEMBL7940338 0.83 CYP11B2 (0.49) CYP11B2TBXAS1ARESR1CYP11B1
SCHEMBL1606044 0.83 CYP11B2 (0.49) CYP11B2TBXAS1ARCYP11B1MAPK1
SCHEMBL1606173 0.83 AR (0.46) CYP11B2TBXAS1ARCYP11B1MAPK1
SCHEMBL11015008 0.82 TBXAS1 (0.62) CYP11B2TBXAS1ESR1HDAC6
SCHEMBL1605498 0.82 TBXAS1 (0.54) CYP11B2TBXAS1ESR1PTGDR2HDAC6
SCHEMBL30385577 0.82 TBXAS1 (0.54) CYP11B2TBXAS1ESR1PTGDR2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN claimed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US claimed
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN 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
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 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
EP-0080154-B1 N-SUBSTITUTED 2-PYRIDYL INDOLES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1985-08-28 EP disclosed
US-4478842-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-10-23 US disclosed
US-4460777-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed
EP-0080154-A2 N-substituted 2-pyridyl indoles, process for their preparation, pharmaceutical compositions containing them, and their therapeutical use CIBA-GEIGY AG (CH) 1983-06-01 EP 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 (3 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-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885TBXAS1 1987/4885AR 1445/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885TBXAS1 1766/4885AR 862/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885TBXAS1 1766/4885AR 862/4885

“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.