SCHEMBL23076199

SCHEMBL23076199

O=c1nc(-c2ccccc2)nc2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cn12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.35
▸ PTGER4 P35408 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ NR4A2 P43354 2/20 0.31
▸ TET2 Q6N021 1/20 0.31
▸ TET1 Q8NFU7 1/20 0.31

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
SCHEMBL29507013 0.97 KDM4E (0.39) TSPOPTGER4KDM4EATML3MBTL1
SCHEMBL23076044 0.97 KDM4E (0.39) TSPOPTGER4KDM4EATML3MBTL1
SCHEMBL23076281 0.88 KDM4E (0.41) TSPOPTGER4KDM4EATML3MBTL1
SCHEMBL23076203 0.84 — —
SCHEMBL23076042 0.84 KDM4E (0.40) TSPOPTGER4KDM4EATML3MBTL1
SCHEMBL23076040 0.83 KMT2A (0.39) KDM4EATML3MBTL1KMT2APTPN1
SCHEMBL14749043 0.80 ATM (0.50) TSPOPTGER4KDM4EATML3MBTL1
SCHEMBL21365756 0.80 ATM (0.50) TSPOPTGER4KDM4EATML3MBTL1
SCHEMBL21862629 0.80 ATM (0.50) TSPOPTGER4KDM4EATML3MBTL1
SCHEMBL6374117 0.80 ATM (0.50) TSPOPTGER4KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-09-29 — — US disclosed
WO-2021043703-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-11 — — 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 (1 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-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM TSPO 1262/4885PTGER4 2635/4885KDM4E 1889/4885

“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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