SCHEMBL22944880

SCHEMBL22944880

c1ccc(-c2nc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)nc3c2sc2ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
PDE6D O43924 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
MMP14 P50281 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LIMK1 P53667 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
SCHEMBL22944877 0.98 PDE6D (0.38) MAPK1PDE6DMEN1LMNAMAPT
SCHEMBL22945332 0.93 ALDH1A1 (0.32) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL22945768 0.93 PDE6D (0.33) MAPK1PDE6DALDH1A1TP53HPGD
SCHEMBL22945762 0.92 PDE6D (0.32) MAPK1PDE6DALDH1A1TP53HPGD
SCHEMBL22944876 0.92 ALDH1A1 (0.32) MAPK1PDE6DALDH1A1TP53HPGD
SCHEMBL22945492 0.92 PDE6D (0.37) MAPK1PDE6DMEN1LMNAMAPT
SCHEMBL22945764 0.91 ALDH1A1 (0.34) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL22945330 0.91 CYP11B1 (0.36) MAPK1MEN1MAPTKMT2ATDP1
SCHEMBL22945534 0.90 ALOX5 (0.34) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL22945494 0.90 PDE6D (0.40) MAPK1PDE6DMEN1LMNAMAPT

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 MAPK1 1514/4885PDE6D 342/4885MEN1 1827/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 MAPK1 1514/4885PDE6D 342/4885MEN1 1827/4885

“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.