SCHEMBL22944882

SCHEMBL22944882

c1ccc2cc(-c3nc4ccccc4nc3-c3cccc4c(N5c6cc7ccccc7cc6-c6cccc7cccc5c67)cccc34)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
PDE6D O43924 1/20 0.35
ALDH1A1 P00352 3/20 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
TP53 P04637 1/20 0.34
CASP7 P55210 1/20 0.34
MET P08581 1/20 0.33
AKT1 P31749 1/20 0.33
POLB P06746 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PIM1 P11309 2/20 0.31
HTR2B P41595 1/20 0.31
HTR5A P47898 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
SCHEMBL21515245 0.91 CYP1A2 (0.38) CYP1A2PDE6DALDH1A1HPGDTSHR
SCHEMBL22944888 0.89 L3MBTL1 (0.39) CYP1A2PDE6DALDH1A1HPGDTSHR
SCHEMBL22945665 0.88 PDE6D (0.38) CYP1A2PDE6DALDH1A1HPGDTSHR
SCHEMBL22945667 0.86 PDE6D (0.37) CYP1A2PDE6DALDH1A1HPGDTSHR
SCHEMBL22945525 0.85 PDE6D (0.41) PDE6DALDH1A1HPGDTSHRMAPK1
SCHEMBL21515606 0.85 PDE6D (0.37) PDE6DALDH1A1HPGDTSHRMAPK1
SCHEMBL22944764 0.84 PDE6D (0.43) CYP1A2PDE6DALDH1A1HPGDTSHR
SCHEMBL22944959 0.84 PDE6D (0.34) CYP1A2PDE6DL3MBTL1KDM4E
SCHEMBL22944763 0.81 PDE6D (0.37) CYP1A2PDE6DALDH1A1HPGDTSHR
SCHEMBL21515252 0.81 L3MBTL1 (0.44) CYP1A2PDE6DALDH1A1HPGDMAPK1

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 CYP1A2 206/4885PDE6D 342/4885ALDH1A1 271/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 CYP1A2 206/4885PDE6D 342/4885ALDH1A1 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.