SCHEMBL21147169

SCHEMBL21147169

c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
PLA2G10 O15496 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX5 P09917 1/20 0.31
TSHR P16473 3/20 0.31
HSP90AA1 P07900 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
SCHEMBL21147332 0.98 PLA2G2A (0.35) CHEK2KDM4EATML3MBTL1SIRT2
SCHEMBL21147335 0.98 PLA2G2A (0.35) CHEK2KDM4EATML3MBTL1SIRT2
SCHEMBL21147598 0.98 PLA2G2A (0.35) CHEK2KDM4EATML3MBTL1SIRT2
SCHEMBL21147331 0.97 CHEK2 (0.34) CHEK2KDM4EATML3MBTL1SIRT2
SCHEMBL21147597 0.96 PLA2G2A (0.35) CHEK2KDM4EATML3MBTL1SIRT2
SCHEMBL21147337 0.94 KDM4E (0.36) CHEK2KDM4EATML3MBTL1SIRT2
SCHEMBL21147580 0.92 HPSE (0.36) CHEK2KDM4EATML3MBTL1SIRT2
SCHEMBL21147305 0.92 CHEK2 (0.36) CHEK2KDM4EATML3MBTL1SIRT2
SCHEMBL21147429 0.92 CHEK2 (0.36) CHEK2KDM4EATML3MBTL1SIRT2
SCHEMBL25945734 0.91 CHEK2 (0.37) CHEK2KDM4ESIRT2SIRT1PLA2G2A

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 CHEK2 2980/4885KDM4E 2739/4885ATM 2932/4885
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND CRY1, CYP1B1, CYP1A1 CHEK2 2980/4885KDM4E 2739/4885ATM 2932/4885

“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.