SCHEMBL21165622

SCHEMBL21165622

c1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6-c6ccccc6)cc5)cc4c4c(-c5ccccc5)cccc43)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSPO P30536 1/20 0.35
HDAC4 P56524 1/20 0.35
ALK Q9UM73 3/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CAMKK2 Q96RR4 1/20 0.32
NR4A2 P43354 2/20 0.32
MGLL Q99685 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
NR3C1 P04150 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
SCHEMBL21165668 0.99 PDE6D (0.38) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL25941431 0.97 KDM4E (0.41) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL25941462 0.97 KDM4E (0.41) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL21165664 0.97 KDM4E (0.41) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL21165711 0.97 KDM4E (0.41) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL21165707 0.97 ALK (0.37) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL21165699 0.97 ALK (0.37) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL25941542 0.97 KDM4E (0.41) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL25941460 0.96 KDM4E (0.41) PDE6DKDM4EATML3MBTL1TSPO
SCHEMBL21165602 0.95 KDM4E (0.40) PDE6DKDM4EATML3MBTL1TSPO

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 PDE6D 723/4885KDM4E 3296/4885ATM 1310/4885

“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.