SCHEMBL22036722

SCHEMBL22036722

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c3c3c5ccccc5c5cccc4n53)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 1/20 0.35
TSPO P30536 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
NPY5R Q15761 1/20 0.31
KMT2A Q03164 1/20 0.30
IL1R1 P14778 1/20 0.30

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
SCHEMBL24797102 0.96 KDM4E (0.35) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL22035874 0.91 L3MBTL1 (0.39) KDM4EATML3MBTL1PTGER4ABCG2
SCHEMBL15197839 0.88 L3MBTL1 (0.41) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL23760161 0.88 L3MBTL1 (0.47) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL23760169 0.88 L3MBTL1 (0.47) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL24549724 0.87 KDM4E (0.40) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL16675306 0.87 L3MBTL1 (0.40) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL23119058 0.87 L3MBTL1 (0.42) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL22035868 0.86 KDM4E (0.34) KDM4EATML3MBTL1KMT2A
SCHEMBL25479819 0.86 KDM4E (0.39) KDM4EATML3MBTL1PTGER4TSPO

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
EP-3630764-B1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR USE IN ELEKTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-08-18 EP disclosed
US-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-28 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-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2J2, CYP2D6 KDM4E 2237/4885ATM 4482/4885L3MBTL1 3859/4885

“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.