SCHEMBL21165707

SCHEMBL21165707

c1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6-c6ccccc6)cc5)cc4c4c(-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.37
PDE6D O43924 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSPO P30536 1/20 0.34
HDAC4 P56524 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31
NR4A2 P43354 2/20 0.31
MGLL Q99685 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL21165699 1.00 ALK (0.37) ALKPDE6DKDM4EATML3MBTL1
SCHEMBL21165590 0.98 KDM4E (0.40) ALKPDE6DKDM4EATML3MBTL1
SCHEMBL21165614 0.98 KDM4E (0.40) ALKPDE6DKDM4EATML3MBTL1
SCHEMBL21165602 0.98 KDM4E (0.40) ALKPDE6DKDM4EATML3MBTL1
SCHEMBL21165584 0.98 KDM4E (0.40) ALKPDE6DKDM4EATML3MBTL1
SCHEMBL21165622 0.97 PDE6D (0.37) ALKPDE6DKDM4EATML3MBTL1
SCHEMBL25941460 0.96 KDM4E (0.41) ALKPDE6DKDM4EATML3MBTL1
SCHEMBL21165668 0.96 PDE6D (0.38) ALKPDE6DKDM4EATML3MBTL1
SCHEMBL21165664 0.95 KDM4E (0.41) ALKPDE6DKDM4EATML3MBTL1
SCHEMBL21165711 0.95 KDM4E (0.41) ALKPDE6DKDM4EATML3MBTL1

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 ALK 4595/4885PDE6D 723/4885KDM4E 3296/4885

“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.