SCHEMBL22945493

SCHEMBL22945493

c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2ccc3ccccc3c2)c2sc3ccccc3c2n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.33
S1PR4 O95977 6/20 0.33
PDE6D O43924 1/20 0.32
ALOX5 P09917 1/20 0.32
TNKS O95271 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AKT1 P31749 1/20 0.30
FABP4 P15090 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
SCHEMBL22944975 0.96 PDE6D (0.33) S1PR5S1PR4PDE6DALOX5TNKS
SCHEMBL22944876 0.94 ALDH1A1 (0.32) S1PR5S1PR4PDE6DALOX5TNKS
SCHEMBL22944769 0.91 S1PR4 (0.32) S1PR5S1PR4PDE6DALOX5TNKS
SCHEMBL22945233 0.91 ALOX5 (0.34) PDE6DALOX5TNKSTNKS2
SCHEMBL22945911 0.91 ALOX5 (0.34) PDE6DALOX5TNKSTNKS2
SCHEMBL22944781 0.91 S1PR4 (0.31) S1PR5S1PR4PDE6DALOX5
SCHEMBL22945762 0.91 PDE6D (0.32) S1PR5S1PR4PDE6DALOX5TNKS
SCHEMBL22945494 0.90 PDE6D (0.40) PDE6DALOX5TNKSTNKS2MAPK1
SCHEMBL22945492 0.90 PDE6D (0.37) PDE6DALOX5TNKSTNKS2MAPK1
SCHEMBL22944957 0.87 KDM4E (0.33) PDE6DALDH1A1HPGDMAPK1HSD17B10

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 S1PR5 3443/4885S1PR4 3775/4885PDE6D 342/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 S1PR5 3443/4885S1PR4 3775/4885PDE6D 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.