SCHEMBL16122011

SCHEMBL16122011

N#Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(C#N)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
MYC P01106 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CSNK2A1 P68400 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HTT P42858 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
SCHEMBL16122007 0.88 CYP11B1 (0.49) CYP11B1CYP11B2KDM4EADORA2AADORA1
SCHEMBL16122008 0.87 MEN1 (0.49) CYP11B1CYP11B2KDM4EADORA2AADORA1
SCHEMBL16098270 0.85 ALDH1A1 (0.50) CYP11B1CYP11B2KDM4ERXFP1NPSR1
SCHEMBL16122285 0.85 ALDH1A1 (0.46) CYP11B1CYP11B2KDM4EADORA2AADORA1
SCHEMBL16122648 0.83 CYP11B1 (0.51) CYP11B1CYP11B2KDM4ERXFP1NPSR1
SCHEMBL16122294 0.83 CYP11B1 (0.51) CYP11B1CYP11B2KDM4ERXFP1NPSR1
SCHEMBL29559545 0.82 CYP11B1 (0.45) CYP11B1CYP11B2MYCKDM4EADORA2A
SCHEMBL17546161 0.81 CYP11B1 (0.48) CYP11B1CYP11B2KDM4EADORA2AADORA1
SCHEMBL22563364 0.81 CYP11B1 (0.52) CYP11B1CYP11B2KDM4EADORA2AADORA1
SCHEMBL16122013 0.81 ABCG2 (0.46) CYP11B1CYP11B2KDM4EADORA2AADORA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976322-B1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-11-20 EP disclosed
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 US disclosed
WO-2014146750-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-09-25 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 (3 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-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 CYP11B1 1641/4885CYP11B2 1484/4885MYC 879/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 CYP11B1 1641/4885CYP11B2 1484/4885MYC 879/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 CYP11B1 1641/4885CYP11B2 1484/4885MYC 879/4885

“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.