SCHEMBL1606366

SCHEMBL1606366

Cc1c(-c2cccnc2)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.63
TBXAS1 P24557 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ESR1 P03372 1/20 0.48
CYP19A1 P11511 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PDE6D O43924 1/20 0.46
ALDH2 P05091 1/20 0.46
ALDH3A1 P30838 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DHPS P49366 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CYP2E1 P05181 1/20 0.44

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
SCHEMBL11015008 0.89 TBXAS1 (0.62) CYP11B2TBXAS1SMN1; SMN2KDM4EESR1
SCHEMBL1605385 0.88 CYP11B2 (0.55) CYP11B2TBXAS1ESR1CYP19A1MAPK1
SCHEMBL1605498 0.86 TBXAS1 (0.54) CYP11B2TBXAS1ESR1
SCHEMBL30385577 0.86 TBXAS1 (0.54) CYP11B2TBXAS1ESR1
SCHEMBL27959994 0.86 CYP19A1 (0.59) SMN1; SMN2ALDH1A1KDM4EESR1CYP19A1
SCHEMBL28107204 0.86 CYP11B2 (0.59) CYP11B2TBXAS1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1605560 0.85 CYP11B2 (0.52) CYP11B2TBXAS1ALDH1A1KDM4EHSD17B10
SCHEMBL16760200 0.85 CYP11B2 (0.68) CYP11B2TBXAS1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1607001 0.85 MAPT (0.55) CYP11B2TBXAS1ALDH1A1ESR1KMT2A
SCHEMBL11007256 0.84 TBXAS1 (0.57) CYP11B2TBXAS1SMN1; SMN2KDM4EESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN 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

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 13/4885TBXAS1 1987/4885SMN1; SMN2 3700/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885TBXAS1 1987/4885SMN1; SMN2 3700/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885TBXAS1 1766/4885SMN1; SMN2 3520/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885TBXAS1 1766/4885SMN1; SMN2 3520/4885

“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.