SCHEMBL16122530

SCHEMBL16122530

N#Cc1cc(C#N)c(F)c(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ METAP2 P50579 1/20 0.38
▸ ACLY P53396 2/20 0.38
▸ GABRG2 P18507 3/20 0.37
▸ GABRB3 P28472 3/20 0.37
▸ GABRA5 P31644 3/20 0.37
▸ GABRA3 P34903 3/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MCL1 Q07820 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ GRM5 P41594 1/20 0.36

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
SCHEMBL16122528 0.98 CYP11B1 (0.44) CYP11B1CYP11B2KDM4EHPGDNPSR1
SCHEMBL16122302 0.94 MAP4K4 (0.38) CYP11B1CYP11B2KDM4EHPGDNPSR1
SCHEMBL16122715 0.94 GRM5 (0.39) CYP11B1CYP11B2KDM4EHPGDNPSR1
SCHEMBL16122531 0.90 METAP2 (0.45) CYP11B1CYP11B2KDM4EHPGDNPSR1
SCHEMBL18411443 0.83 HPGD (0.43) CYP11B1CYP11B2KDM4EHPGDNPSR1
SCHEMBL16122710 0.80 CYP11B2 (0.41) CYP11B1CYP11B2HPGDMETAP2ALDH1A1
SCHEMBL16122472 0.80 CYP11B1 (0.53) CYP11B1CYP11B2KDM4EHPGDNPSR1
SCHEMBL16122709 0.79 METAP2 (0.40) CYP11B1CYP11B2KDM4EMETAP2ACLY
SCHEMBL16122055 0.79 ABCG2 (0.43) CYP11B1CYP11B2KDM4EHPGDNPSR1
SCHEMBL18411441 0.79 CYP11B1 (0.45) CYP11B1CYP11B2KDM4EHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 1484/4885KDM4E 2761/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 CYP11B1 1641/4885CYP11B2 1484/4885KDM4E 2761/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 CYP11B1 1641/4885CYP11B2 1484/4885KDM4E 2761/4885

“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.

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