SCHEMBL22945688

SCHEMBL22945688

c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-c4cccc5cccc3c45)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.49
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 5/20 0.38
TSHR P16473 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 3/20 0.38
ATM Q13315 2/20 0.38
MGLL Q99685 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL22946055 0.97 PDE6D (0.54) PDE6DALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL21886414 0.95 ALDH1A1 (0.44) PDE6DALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL24254032 0.92 PDE6D (0.48) PDE6DALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL24253884 0.92 PDE6D (0.48) PDE6DALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL22945690 0.88 PDE6D (0.45) PDE6DALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL24254033 0.88 PDE6D (0.42) PDE6DALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL21515304 0.87 PDE6D (0.63) PDE6DALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL24254089 0.86 ALDH1A1 (0.40) PDE6DALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL26736438 0.86 PDE6D (0.40) PDE6DALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL22945426 0.85 PDE6D (0.38) PDE6DALDH1A1HSD17B10TSHRL3MBTL1

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 PDE6D 342/4885ALDH1A1 271/4885HSD17B10 1212/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PDE6D 342/4885ALDH1A1 271/4885HSD17B10 1212/4885

“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.