SCHEMBL21717481

SCHEMBL21717481

c1ccc(-c2nc(-n3c4ccccc4c4cc5ccc(-n6c7ccccc7c7ccccc76)cc5cc43)nc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 4/20 0.38
NUDT1 P36639 3/20 0.38
ADORA2A P29274 2/20 0.38
ATM Q13315 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
S1PR2 O95136 1/20 0.35
HIF1A Q16665 1/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 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
SCHEMBL21168890 0.94 HPGD (0.43) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL21168839 0.94 HPGD (0.43) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL21717330 0.93 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL21716514 0.93 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL21717371 0.93 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL21716798 0.93 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL21717228 0.92 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL17446028 0.91 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL17990565 0.91 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL21716321 0.91 L3MBTL1 (0.39) KDM4EALDH1A1HPGDMAPTNPSR1

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 KDM4E 1813/4885ALDH1A1 33/4885HPGD 652/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 KDM4E 1813/4885ALDH1A1 33/4885HPGD 652/4885

“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.