SCHEMBL22945750

SCHEMBL22945750

c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1nc(-c2cc3ccccc3c3ccccc23)nc(-c2cccc3c2sc2ccccc23)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
CASP1 P29466 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PRKDC P78527 6/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
TP53 P04637 1/20 0.31
CASP7 P55210 1/20 0.31
PARP14 Q460N5 1/20 0.31
ATM Q13315 1/20 0.30
BRD4 O60885 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 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
SCHEMBL22945047 0.96 ALOX5 (0.38) ALOX5ALDH1A1HPGDTSHRMAPK1
SCHEMBL22945194 0.94 ALOX5 (0.36) ALOX5ALDH1A1HPGDTSHRMAPK1
SCHEMBL22945976 0.93 ALOX5 (0.36) ALOX5ALDH1A1HPGDTSHRMAPK1
SCHEMBL22945338 0.91 ALOX5 (0.37) ALOX5ALDH1A1HPGDTSHRMAPK1
SCHEMBL22945487 0.88 ALOX5 (0.37) ALOX5PRKDC
SCHEMBL22945486 0.88 ALOX5 (0.37) ALOX5PRKDC
SCHEMBL22945129 0.88 ALOX5 (0.34) ALOX5ALDH1A1HPGDTSHRMAPK1
SCHEMBL22945716 0.87 ALOX5 (0.33) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL22945519 0.87 ALOX5 (0.38) ALOX5ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL22944856 0.86 PRKDC (0.35) ALOX5PRKDCPIK3CDPIK3CBBRD4

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-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
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 386/4885ALDH1A1 271/4885HPGD 2943/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALOX5 386/4885ALDH1A1 271/4885HPGD 2943/4885

“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.