SCHEMBL21882471

SCHEMBL21882471

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5cc(-c6ccc(-c7cccc8cccnc78)cc6)cc(-c6ccc(-c7cccc8cccnc78)cc6)c5)cc4)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.45
RIPK1 Q13546 1/20 0.43
BRD4 O60885 1/20 0.43
TOP1 P11387 4/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
FEN1 P39748 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
GSTP1 P09211 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MMP9 P14780 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL21882459 0.97 RIPK1 (0.43) ENPP1RIPK1BRD4TOP1PDE4A
SCHEMBL21882414 0.95 ENPP1 (0.48) ENPP1RIPK1BRD4TOP1PDE4A
SCHEMBL17829454 0.89 BRD4 (0.48) ENPP1BRD4TOP1PDE4AMEN1
SCHEMBL19486704 0.88 BRD4 (0.47) ENPP1BRD4TOP1PDE4AMEN1
SCHEMBL18327526 0.88 BRD4 (0.47) ENPP1BRD4TOP1PDE4AMEN1
SCHEMBL12580436 0.88 MMP2 (0.48) ENPP1BRD4TOP1PDE4AMAPT
SCHEMBL12580382 0.88 MMP2 (0.48) ENPP1BRD4TOP1PDE4AMAPT
SCHEMBL17829343 0.87 KDM4E (0.46) ENPP1BRD4TOP1PDE4AMEN1
SCHEMBL17829368 0.86 TOP1 (0.45) ENPP1BRD4TOP1PDE4APDE4B
SCHEMBL18327315 0.86 BRD4 (0.48) ENPP1BRD4TOP1PDE4AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730009-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. 2023-08-15 US disclosed
US-11730009-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. 2023-08-15 US disclosed
EP-3330265-B1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-04-15 EP 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-11730009-B2 Compound and organic light-emitting element comprising same CRY2, CRY1, NR2E3 ENPP1 2176/4885RIPK1 3223/4885BRD4 826/4885

“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.