SCHEMBL19781138

SCHEMBL19781138

O=S(=O)(Oc1ccc(-c2ccccn2)cc1-c1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
CHEK2 O96017 1/20 0.40
KAT6A Q92794 4/20 0.39
CYP2A6 P11509 1/20 0.38
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
SLC6A9 P48067 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
SYK P43405 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
TGFBR1 P36897 1/20 0.36
TOP1 P11387 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 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
SCHEMBL19781089 0.83 BACE1 (0.36) PDE4APDE4CPDE4DPTGDR2SLC6A9
SCHEMBL29458425 0.83 SLC6A9 (0.44) PDK2PTGDR2SLC6A9
SCHEMBL23956288 0.82 PDK2 (0.44) PDK2CHEK2KAT6APDE4APDE4C
SCHEMBL24781175 0.82 MEN1 (0.43) PTGS2
SCHEMBL649550 0.81 GRM5 (0.46) PDK2KAT6ACYP2A6PDE4APDE4C
SCHEMBL23303454 0.80 LMNA (0.39) PDE4APDE4CPDE4DPTGDR2SLC6A9
SCHEMBL649934 0.79 GRM5 (0.44) PDK2KAT6ACYP2A6PDE4APDE4C
SCHEMBL29306759 0.79 FFAR1 (0.38) PDK2CHEK2KAT6APDE4APDE4C
SCHEMBL9471024 0.78 DRD2 (0.40) PTGDR2
SCHEMBL15116983 0.77 BACE1 (0.37) PTGDR2SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3487865-B1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-23 EP disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3487864-B1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-04-29 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
US-20190161510-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-05-30 US disclosed
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-23 US disclosed
WO-2018019688-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2018-02-01 WO disclosed
WO-2018019687-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-02-01 WO disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 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 (5 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-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES SSBP1, POLRMT, BICRA PDK2 2493/4885CHEK2 2042/4885KAT6A 2520/4885
US-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 PDK2 2391/4885CHEK2 4194/4885KAT6A 320/4885
US-20190161510-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MCU, AP3M1, AP2M1 PDK2 2935/4885CHEK2 4558/4885KAT6A 1402/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 PDK2 2391/4885CHEK2 4194/4885KAT6A 320/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 PDK2 2391/4885CHEK2 4194/4885KAT6A 320/4885

“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.