SCHEMBL1606217

SCHEMBL1606217

Cn1c(-c2cccnc2)c(C#N)c2cc(Cl)cc(F)c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.64
CYP11B1 P15538 2/20 0.64
MAOA P21397 1/20 0.64
DYRK1A Q13627 1/20 0.45
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
SQOR Q9Y6N5 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
TBXAS1 P24557 1/20 0.39
ADORA2A P29274 1/20 0.38

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
SCHEMBL1605933 0.81 CYP11B2 (0.82) CYP11B2CYP11B1MAOADYRK1AKDM4E
SCHEMBL1606810 0.78 CYP11B2 (1.00) CYP11B2CYP11B1MAOADYRK1AKDM4E
SCHEMBL1605981 0.76 CYP11B2 (0.74) CYP11B2CYP11B1MAOADYRK1AKDM4E
SCHEMBL7945772 0.76 CYP11B2 (0.70) CYP11B2CYP11B1MAOADYRK1AKDM4E
SCHEMBL1605365 0.74 KCNH2 (0.45) CYP11B2CYP11B1MAOADYRK1AHSD17B10
SCHEMBL1605013 0.73 CYP11B2 (1.00) CYP11B2CYP11B1MAOADYRK1AALDH1A1
SCHEMBL1606093 0.73 CYP11B2 (0.70) CYP11B2CYP11B1MAOADYRK1AKDM4E
SCHEMBL1605480 0.72 CYP11B2 (0.72) CYP11B2CYP11B1MAOADYRK1ATBXAS1
SCHEMBL1606066 0.67 CYP11B2 (0.68) CYP11B2CYP11B1MAOAHSD17B10ALDH1A1
SCHEMBL23973953 0.66 CYP11B2 (0.47) CYP11B2CYP11B1KDM4EHSD17B10HTT

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 25 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 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
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 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 13/4885CYP11B1 14/4885MAOA 193/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885MAOA 193/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885MAOA 198/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885MAOA 198/4885

“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.