SCHEMBL1605932

SCHEMBL1605932

Cc1cc(C)cc(C(=O)n2c(-c3cccnc3)cc3cc(C#N)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.46
CYP11B1 P15538 4/20 0.46
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.42
CHRNB2 P17787 2/20 0.39
CHRNA5 P30532 2/20 0.39
CHRNA4 P43681 2/20 0.39
KCNH2 Q12809 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ELANE P08246 4/20 0.38
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
BCR P11274 1/20 0.37
PDGFRA P16234 1/20 0.37
PRKCA P17252 1/20 0.37
F2 P00734 1/20 0.37
MAPT P10636 1/20 0.37
KLK7 P49862 1/20 0.37
KMT2A Q03164 1/20 0.37
KLK14 Q9P0G3 1/20 0.37

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
SCHEMBL1605154 0.92 ELANE (0.47) CYP11B2CYP11B1CYP17A1CYP19A1ELANE
SCHEMBL1606243 0.88 CYP11B2 (0.44) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL1605018 0.88 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL1606203 0.87 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL1607108 0.86 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL12732932 0.85 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL1606336 0.85 EGFR (0.48) CYP11B2CYP11B1CYP17A1ABL1BCR
SCHEMBL1606110 0.85 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1CYP19A1ABL1
SCHEMBL1605176 0.85 KMO (0.47) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL1606386 0.85 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN claimed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US claimed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US claimed
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
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 13/4885CYP11B1 14/4885CYP17A1 65/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885CYP17A1 65/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP17A1 57/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP17A1 57/4885

“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.