SCHEMBL22175249

SCHEMBL22175249

c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccc6c(c7ccccc7n6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c4n5-c4ccccc4)cc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER4 P35408 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
NR3C1 P04150 1/20 0.32
AVPR1A P37288 1/20 0.32
TSPO P30536 1/20 0.31
IL1R1 P14778 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL23119077 0.98 L3MBTL1 (0.36) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL23119062 0.98 L3MBTL1 (0.36) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL16260429 0.97 KDM4E (0.39) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL24549690 0.96 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL18868035 0.95 L3MBTL1 (0.39) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL23118760 0.95 L3MBTL1 (0.39) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL22175317 0.94 KDM4E (0.39) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL18561381 0.94 L3MBTL1 (0.40) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL16260431 0.94 KDM4E (0.38) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL26473080 0.94 KDM4E (0.38) KDM4EATML3MBTL1PTGER4KMT2A

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-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
US-20200207794-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-02 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 (2 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-20200207794-A1 METAL COMPLEXES IMMT, MCU, SOD1 KDM4E 4470/4885ATM 4048/4885L3MBTL1 3259/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 KDM4E 4470/4885ATM 4048/4885L3MBTL1 3259/4885

“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.