SCHEMBL22944973

SCHEMBL22944973

c1cncc(-c2nc(N3c4ccccc4-c4cccc5cccc3c45)nc3c2sc2ccccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
MAPT P10636 4/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP11B1 P15538 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
BCHE P06276 1/20 0.32
GSK3B P49841 2/20 0.32

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
SCHEMBL22945330 0.93 CYP11B1 (0.36) TGFBR1MAPTHSD17B10CYP11B1HTT
SCHEMBL22944815 0.91 MAPT (0.34) TGFBR1MAPTHSD17B10CYP11B1HTT
SCHEMBL22945969 0.90 MAPT (0.33) TGFBR1MAPTHSD17B10CYP11B1HTT
SCHEMBL22945492 0.90 PDE6D (0.37) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL22944957 0.89 KDM4E (0.33) MAPTHSD17B10MAPK1ALDH1A1RAB9A
SCHEMBL22945494 0.88 PDE6D (0.40) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL22944980 0.85 PDE6D (0.35) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL22944953 0.85 ALDH1A1 (0.34) MAPTHSD17B10HTTGAAALDH1A1
SCHEMBL22944969 0.85 POLB (0.32) MAPTHSD17B10MAPK1ALDH1A1HPGD
SCHEMBL22945493 0.84 S1PR5 (0.33) HSD17B10MAPK1ALDH1A1HPGDPDE6D

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 TGFBR1 519/4885MAPT 2771/4885HSD17B10 1212/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 TGFBR1 519/4885MAPT 2771/4885HSD17B10 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.