SCHEMBL22945168

SCHEMBL22945168

c1ccc(-c2nc(-c3ccc4c(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)cccc4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.36
CHEK2 O96017 1/20 0.32
ALDH1A1 P00352 4/20 0.31
HPGD P15428 4/20 0.31
TSHR P16473 4/20 0.31
HSD17B10 Q99714 4/20 0.31
MAPT P10636 4/20 0.31
KDM4E B2RXH2 3/20 0.31
MAPK1 P28482 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL22945070 0.93 PDE6D (0.37) PDE6DCHEK2ALDH1A1HPGDTSHR
SCHEMBL22945068 0.93 PDE6D (0.38) PDE6DCHEK2ALDH1A1HPGDTSHR
SCHEMBL22946056 0.92 PDE6D (0.37) PDE6DCHEK2ALDH1A1HPGDTSHR
SCHEMBL22944931 0.90 PDE6D (0.38) PDE6DCHEK2ALDH1A1HPGDTSHR
SCHEMBL22944932 0.89 PDE6D (0.37) PDE6DALDH1A1HPGDTSHRHSD17B10
SCHEMBL22944874 0.89 PDE6D (0.34) PDE6DCHEK2ALDH1A1HPGDTSHR
SCHEMBL22945313 0.89 PDE6D (0.34) PDE6DALDH1A1HPGDTSHRHSD17B10
SCHEMBL22946060 0.88 PDE6D (0.37) PDE6DALDH1A1HPGDTSHRHSD17B10
SCHEMBL22945057 0.88 PRKDC (0.33) PDE6DCHEK2ALDH1A1HPGDTSHR
SCHEMBL22946003 0.88 PDE6D (0.33) PDE6DCHEK2ALDH1A1HPGDTSHR

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 PDE6D 342/4885CHEK2 3208/4885ALDH1A1 271/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PDE6D 342/4885CHEK2 3208/4885ALDH1A1 271/4885

“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.