SCHEMBL16122302

SCHEMBL16122302

N#Cc1cc(C#N)c(F)c(-c2cccc(-c3cc(-c4cccc(-c5cc(C#N)cc(C#N)c5F)c4)cc(-c4cccc(-c5cc(C#N)cc(C#N)c5F)c4)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.38
▸ CYP11B1 P15538 3/20 0.38
▸ CYP11B2 P19099 3/20 0.38
▸ GABRG2 P18507 4/20 0.38
▸ GABRB3 P28472 4/20 0.38
▸ GABRA5 P31644 4/20 0.38
▸ GABRA3 P34903 4/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ AR P10275 2/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ FASN P49327 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ METAP2 P50579 1/20 0.34

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
SCHEMBL16122715 0.97 GRM5 (0.39) MAP4K4CYP11B1CYP11B2GABRG2GABRB3
SCHEMBL16122528 0.95 CYP11B1 (0.44) MAP4K4CYP11B1CYP11B2GABRG2GABRB3
SCHEMBL16122530 0.94 CYP11B1 (0.46) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL16122531 0.86 METAP2 (0.45) CYP11B1CYP11B2KDM4EHPGDNPSR1
SCHEMBL16122293 0.80 CYP11B1 (0.45) MAP4K4CYP11B1CYP11B2KDM4EHPGD
SCHEMBL17545813 0.80 TRPV4 (0.35) CYP11B1CYP11B2GRM5
SCHEMBL16122710 0.80 CYP11B2 (0.41) MAP4K4CYP11B1CYP11B2GRM5HPGD
SCHEMBL17546156 0.78 AR (0.40) CYP11B1CYP11B2GRM5ARPGR
SCHEMBL18411443 0.75 HPGD (0.43) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL16122524 0.75 TSHR (0.40) AR

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 MAP4K4 477/4885CYP11B1 1641/4885CYP11B2 1484/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 MAP4K4 477/4885CYP11B1 1641/4885CYP11B2 1484/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 MAP4K4 477/4885CYP11B1 1641/4885CYP11B2 1484/4885

“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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