SCHEMBL21165688

SCHEMBL21165688

c1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6-c6ccccc6)cc5)ccc3n4-c3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSPO P30536 3/20 0.35
ALK Q9UM73 1/20 0.32
PDE10A Q9Y233 1/20 0.32
DNM1 Q05193 1/20 0.31
HDAC4 P56524 1/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
PTGER1 P34995 1/20 0.30
WNK1 Q9H4A3 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
SCHEMBL21165605 1.00 KDM4E (0.37) KDM4EATML3MBTL1TSPOALK
SCHEMBL21165568 1.00 KDM4E (0.37) KDM4EATML3MBTL1TSPOALK
SCHEMBL21165585 1.00 KDM4E (0.37) KDM4EATML3MBTL1TSPOALK
SCHEMBL21165579 0.99 ATM (0.38) KDM4EATML3MBTL1TSPOALK
SCHEMBL21165646 0.99 ATM (0.38) KDM4EATML3MBTL1TSPOALK
SCHEMBL21165578 0.98 ATM (0.39) KDM4EATML3MBTL1TSPOALK
SCHEMBL25941547 0.98 ATM (0.39) KDM4EATML3MBTL1TSPOALK
SCHEMBL21165713 0.98 ATM (0.39) KDM4EATML3MBTL1TSPOALK
SCHEMBL21165594 0.98 ALK (0.33) KDM4EATML3MBTL1TSPOALK
SCHEMBL21165593 0.97 L3MBTL1 (0.41) KDM4EATML3MBTL1TSPOALK

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-20190221750-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-18 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-20190221750-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CRY1, CRY2, MCM4 KDM4E 3296/4885ATM 1310/4885L3MBTL1 2041/4885

“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.