SCHEMBL22945497

SCHEMBL22945497

c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1nc(-c2cccc3c2sc2ccccc23)c2ccccc2n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
PRKDC P78527 5/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PARP14 Q460N5 1/20 0.31
PDE6D O43924 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21515448 0.92 ALOX5 (0.34) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL22945499 0.89 BRDT (0.32) ALDH1A1HPGDTP53TSHRMAPK1
SCHEMBL22945534 0.88 ALOX5 (0.34) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL22945650 0.87 PDE6D (0.38) ALOX5PRKDCPDE6D
SCHEMBL22945047 0.86 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL22945498 0.86 ALDH1A1 (0.33) ALDH1A1HPGDMAPK1PDE6DKDM4E
SCHEMBL22945496 0.86 ALDH1A1 (0.33) ALDH1A1HPGDMAPK1PDE6DKDM4E
SCHEMBL22944987 0.86 ALOX5 (0.32) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL21515285 0.85 ALOX5 (0.32) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL22945626 0.85 ALOX5 (0.35) ALOX5PRKDCPIK3CDPIK3CBALDH1A1

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-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 ALOX5 386/4885PRKDC 4810/4885PIK3CD 4301/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALOX5 386/4885PRKDC 4810/4885PIK3CD 4301/4885

“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.