SCHEMBL1605018

SCHEMBL1605018

N#Cc1cccc(C(=O)n2c(-c3cccnc3)cc3cc(C#N)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.47
CYP11B1 P15538 3/20 0.47
CYP17A1 P05093 1/20 0.47
CHRNB2 P17787 2/20 0.45
CHRNA5 P30532 2/20 0.45
CHRNA4 P43681 2/20 0.45
CYP19A1 P11511 1/20 0.43
GRM5 P41594 4/20 0.42
VNN1 O95497 2/20 0.41
ELANE P08246 1/20 0.41
ATR Q13535 1/20 0.41
ABL1 P00519 1/20 0.40
PDGFRB P09619 1/20 0.40
BCR P11274 1/20 0.40
PDGFRA P16234 1/20 0.40
PRKCA P17252 1/20 0.40
BRAF P15056 1/20 0.40
PPARG P37231 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
SCHEMBL1605176 0.93 KMO (0.47) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL1605154 0.92 ELANE (0.47) CYP11B2CYP11B1CYP17A1CYP19A1ELANE
SCHEMBL1605777 0.90 ABL1 (0.52) CYP11B2CYP11B1CYP17A1GRM5ABL1
SCHEMBL1605663 0.89 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL1606203 0.88 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL1606243 0.88 CYP11B2 (0.44) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL1605932 0.88 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL1605020 0.87 NR1H2 (0.42) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL1607108 0.86 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL12732932 0.85 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5

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
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 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-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
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 13/4885CYP11B1 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.