SCHEMBL22310291

SCHEMBL22310291

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-c6ccc7c(c6)c6ccc(-c8ccc(-c9cc(-c%10ccccc%10)nc(-c%10cccc(-c%11cccc%12c%11c%11ccc(-c%13ccc%14c%15ccccc%15n(-c%15ccccc%15)c%14c%13)cc%11n%12-c%11ccccc%11)c%10)n9)cc8)cc6n7-c6ccccc6)ccc4n5-c4ccccc4)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGER4 P35408 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSPO P30536 1/20 0.33
▸ NTSR1 P30989 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ BMX P51813 1/20 0.31
▸ HDAC4 P56524 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
SCHEMBL20244095 0.95 KDM4E (0.37) KDM4EATML3MBTL1PTGER4MEN1
SCHEMBL17714909 0.95 KDM4E (0.38) KDM4EATML3MBTL1PTGER4MEN1
SCHEMBL17714915 0.95 KDM4E (0.38) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL19039135 0.95 KDM4E (0.40) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17252435 0.95 KDM4E (0.40) KDM4EATML3MBTL1PTGER4MEN1
SCHEMBL21240902 0.94 MEN1 (0.34) KDM4EATML3MBTL1PTGER4MEN1
SCHEMBL21111160 0.94 KDM4E (0.38) KDM4EATML3MBTL1PTGER4MEN1
SCHEMBL26450920 0.94 KDM4E (0.38) KDM4EATML3MBTL1PTGER4MEN1
SCHEMBL17714833 0.94 KDM4E (0.38) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL20803046 0.93 MEN1 (0.34) KDM4EATML3MBTL1PTGER4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200251660-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2020-08-06 — — 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 (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-20200251660-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES DDT, ESD, ETFA KDM4E 3065/4885ATM 4454/4885L3MBTL1 565/4885

“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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