SCHEMBL16122020

SCHEMBL16122020

N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ADORA1 P30542 5/20 0.35
ADORA2A P29274 3/20 0.35
KDM5B Q9UGL1 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HIF1A Q16665 1/20 0.34
SQOR Q9Y6N5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
FLT3 P36888 1/20 0.33
PARP1 P09874 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ADORA2B P29275 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL16122026 0.89 SMN1; SMN2 (0.37) CYP11B1CYP11B2ADORA1ADORA2AKDM5B
SCHEMBL25513109 0.88 PDE9A (0.37) ADORA1KDM5BSMN1; SMN2HIF1AKDM4E
SCHEMBL23263911 0.87 ADORA1 (0.36) CYP11B1CYP11B2ADORA1KDM5BSMN1; SMN2
SCHEMBL23348308 0.87 KDM5B (0.34) CYP11B1CYP11B2ADORA1ADORA2AKDM5B
SCHEMBL22155947 0.87 CYP11B1 (0.34) CYP11B1CYP11B2ADORA1ADORA2AKDM5B
SCHEMBL16122018 0.87 CYP11B1 (0.42) CYP11B1CYP11B2SMN1; SMN2HIF1AKDM4E
SCHEMBL22155922 0.85 PGR (0.39) CYP11B1CYP11B2ADORA1ADORA2AKDM5B
SCHEMBL22155927 0.84 CYP11B1 (0.35) CYP11B1CYP11B2ADORA1ADORA2AKDM5B
SCHEMBL20596419 0.84 PDE9A (0.38) ADORA1KDM5BSMN1; SMN2HIF1AKDM4E
SCHEMBL20279077 0.84 ADORA1 (0.36) CYP11B1CYP11B2ADORA1KDM5BSMN1; SMN2

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 1484/4885ADORA1 4713/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 CYP11B1 1641/4885CYP11B2 1484/4885ADORA1 4713/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 CYP11B1 1641/4885CYP11B2 1484/4885ADORA1 4713/4885

“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.