SCHEMBL1606155

SCHEMBL1606155

Cn1c(-c2cncc(C(N)=O)c2)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.54
KMT2A Q03164 2/20 0.51
SIRT2 Q8IXJ6 6/20 0.46
SIRT1 Q96EB6 6/20 0.46
SIRT3 Q9NTG7 6/20 0.46
FASN P49327 1/20 0.46
CYP11B1 P15538 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNB3 Q05901 1/20 0.45
MAPT P10636 2/20 0.45
MKNK1 Q9BUB5 3/20 0.45
MKNK2 Q9HBH9 3/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL1605888 0.88 KMT2A (0.56) CYP11B2KMT2AFASNCHRNB1CHRNB2
SCHEMBL3683054 0.84 MAP4K4 (0.46) CYP11B2SIRT2SIRT1SIRT3CYP11B1
SCHEMBL1606170 0.82 CYP2C9 (0.48) CYP11B2KMT2AFASNCHRNB1CHRNB2
SCHEMBL3734091 0.80 CYP11B2 (0.44) CYP11B2KMT2AFASNCHRNB1CHRNB2
SCHEMBL1606762 0.79 KMT2A (0.58) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1605248 0.79 KMT2A (0.58) CYP11B2KMT2AFASNCYP11B1CHRNB1
SCHEMBL3759070 0.79 CYP11B2 (0.54) CYP11B2SIRT2SIRT1SIRT3CYP11B1
SCHEMBL16196639 0.76 KMT2A (0.58) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1605979 0.76 KMT2A (0.58) CYP11B2KMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1605168 0.76 KMT2A (0.58) CYP11B2KMT2ACYP11B1CHRNB1CHRNB2

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 28 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
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-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 13/4885KMT2A 4447/4885SIRT2 3611/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885KMT2A 4447/4885SIRT2 3611/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885KMT2A 4274/4885SIRT2 3494/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885KMT2A 4274/4885SIRT2 3494/4885

“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.