SCHEMBL17545995

SCHEMBL17545995

N#Cc1cc(-c2nc(-c3cc(C#N)c(F)c(C#N)c3)nc(-c3cc(C#N)c(F)c(C#N)c3)n2)cc(C#N)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.37
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
TRPV4 Q9HBA0 2/20 0.34
CYP11B2 P19099 9/20 0.34
CYP11B1 P15538 7/20 0.34
ALDH1A1 P00352 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 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
SCHEMBL17545801 0.89 ABCG2 (0.46) CYP11B2CYP11B1ALDH1A1ABCG2KDM4E
SCHEMBL16122013 0.89 ABCG2 (0.46) CYP11B2CYP11B1ALDH1A1ABCG2KDM4E
SCHEMBL16122025 0.83 CYP11B1 (0.49) CYP11B2CYP11B1ALDH1A1ABCG2KDM4E
SCHEMBL16122340 0.83 TRPV4 (0.41) KHKESR1ESR2TRPV4CYP11B2
SCHEMBL17546161 0.82 CYP11B1 (0.48) CYP11B2CYP11B1ALDH1A1ABCG2KDM4E
SCHEMBL16122007 0.82 CYP11B1 (0.49) CYP11B2CYP11B1ALDH1A1ABCG2KDM4E
SCHEMBL17545806 0.82 CYP11B1 (0.48) CYP11B2CYP11B1ALDH1A1ABCG2KDM4E
SCHEMBL19942765 0.80 CYP11B1 (0.48) CYP11B2CYP11B1ALDH1A1ABCG2KDM4E
SCHEMBL17545780 0.80 ESR1 (0.40) KHKESR1ESR2TRPV4CYP11B2
SCHEMBL16122285 0.78 ALDH1A1 (0.46) CYP11B2CYP11B1ALDH1A1ABCG2KDM4E

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 5 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

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 KHK 1837/4885ESR1 2086/4885ESR2 2650/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 KHK 1837/4885ESR1 2086/4885ESR2 2650/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 KHK 1837/4885ESR1 2086/4885ESR2 2650/4885

“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.