SCHEMBL22944745

SCHEMBL22944745

c1ccc(-c2ccc(-c3nc(N4c5ccc6ccccc6c5-c5cccc6cccc4c56)nc4c3oc3ccccc34)c3ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
MAPT P10636 6/20 0.32
PDE6D O43924 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HPGD P15428 1/20 0.30
PKM P14618 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
SCHEMBL22945991 0.93 TSHR (0.35) ADORA2AMAPTPDE6DKDM4ETSHR
SCHEMBL22946036 0.93 HSD17B10 (0.32) MAPTKDM4ETSHRLMNAMAPK1
SCHEMBL22944744 0.92 PDE6D (0.37) ADORA2AMAPTPDE6DKDM4ETSHR
SCHEMBL22946029 0.90 PRKDC (0.33) KDM4ETSHRHSD17B10ALDH1A1MEN1
SCHEMBL22946027 0.90 CREBBP (0.33) MAPTKDM4ETSHRHSD17B10ALDH1A1
SCHEMBL22945936 0.89 PDE6D (0.35) ADORA2AMAPTPDE6DKDM4ETSHR
SCHEMBL22945637 0.89 MAPT (0.33) ADORA2AMAPTPDE6DKDM4ETSHR
SCHEMBL22944743 0.87 NPC1 (0.34) MAPTPDE6DTSHRHSD17B10ALDH1A1
SCHEMBL22944778 0.87 KDM4E (0.34) MAPTKDM4ETSHRLMNAMAPK1
SCHEMBL22945323 0.86 MAPT (0.33) ADORA2AMAPTPDE6DKDM4ETSHR

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 ADORA2A 1641/4885MAPT 2771/4885PDE6D 342/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ADORA2A 1641/4885MAPT 2771/4885PDE6D 342/4885

“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.