SCHEMBL21147803

SCHEMBL21147803

c1ccc(-c2nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ATM Q13315 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 5/20 0.36
PDE10A Q9Y233 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
ABCG2 Q9UNQ0 4/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22672103 0.95 ATM (0.40) KDM4EATML3MBTL1ALDH1A1PDE10A
SCHEMBL21147805 0.95 KDM4E (0.44) KDM4EATML3MBTL1ALDH1A1PDE10A
SCHEMBL21147167 0.94 KDM4E (0.42) KDM4EATML3MBTL1ALDH1A1PDE10A
SCHEMBL21147159 0.93 KDM4E (0.45) KDM4EATML3MBTL1ALDH1A1PDE10A
SCHEMBL21147845 0.92 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1PDE10A
SCHEMBL21147810 0.92 KDM4E (0.44) KDM4EATML3MBTL1ALDH1A1PDE10A
SCHEMBL21147262 0.92 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1PDE10A
SCHEMBL19862588 0.92 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1PDE10A
SCHEMBL21147319 0.91 ATM (0.41) KDM4EATML3MBTL1ALDH1A1PDE10A
SCHEMBL21147836 0.91 ATM (0.41) KDM4EATML3MBTL1ALDH1A1PDE10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-20200212314-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 US disclosed
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-11 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-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CRY1, CYP1B1, CYP1A1 KDM4E 2739/4885ATM 2932/4885L3MBTL1 1990/4885
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND CRY1, CYP1B1, CYP1A1 KDM4E 2739/4885ATM 2932/4885L3MBTL1 1990/4885

“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.