SCHEMBL21716730

SCHEMBL21716730

c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5nc4-c4ccc5cc(-n6c7ccccc7c7cc8cc(-n9c%10ccccc%10c%10cc%11ccccc%11cc%109)ccc8cc76)ccc5c4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
PTGER4 P35408 1/20 0.37
HPGD P15428 1/20 0.35
NPY5R Q15761 1/20 0.34
PTGES O14684 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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
SCHEMBL21716958 0.99 L3MBTL1 (0.42) L3MBTL1KDM4EATMPTGER4HPGD
SCHEMBL21716703 0.94 KDM4E (0.36) L3MBTL1KDM4EATMPTGER4HPGD
SCHEMBL21716959 0.93 L3MBTL1 (0.41) L3MBTL1KDM4EATMPTGER4HPGD
SCHEMBL21717226 0.93 KDM4E (0.35) L3MBTL1KDM4EATMPTGER4HPGD
SCHEMBL21168919 0.92 L3MBTL1 (0.40) L3MBTL1KDM4EATMHPGDALDH1A1
SCHEMBL21168851 0.92 L3MBTL1 (0.40) L3MBTL1KDM4EATMHPGDALDH1A1
SCHEMBL21716440 0.92 L3MBTL1 (0.36) L3MBTL1KDM4EATMPTGER4HPGD
SCHEMBL21716813 0.92 L3MBTL1 (0.38) L3MBTL1KDM4EATMHPGDNPY5R
SCHEMBL21716956 0.92 L3MBTL1 (0.36) L3MBTL1KDM4EATMPTGER4HPGD
SCHEMBL21717048 0.92 HPGD (0.37) L3MBTL1KDM4EATMHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 L3MBTL1 1427/4885KDM4E 1813/4885ATM 3428/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 L3MBTL1 1427/4885KDM4E 1813/4885ATM 3428/4885

“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.