SCHEMBL22945969

SCHEMBL22945969

c1cncc(-c2nc(N3c4ccc5ccccc5c4-c4cccc5cccc3c45)nc3c2sc2ccccc23)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGFBR1 P36897 1/20 0.32
BCHE P06276 1/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
POLB P06746 1/20 0.32
GSK3B P49841 2/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CYP11B1 P15538 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL22944782 0.91 MEN1 (0.36) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL22945971 0.90 MAPK13 (0.31) MAPTALDH1A1RAB9AKDM4EHPGD
SCHEMBL22944973 0.90 TGFBR1 (0.35) MAPTALDH1A1RAB9AKDM4EHPGD
SCHEMBL22945981 0.89 PDE6D (0.37) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL22944815 0.89 MAPT (0.34) MAPTALDH1A1RAB9AKDM4EHPGD
SCHEMBL22945278 0.87
SCHEMBL22946021 0.87 MAPT (0.32) MAPTALDH1A1RAB9AKDM4EHPGD
SCHEMBL22945330 0.87 CYP11B1 (0.36) MAPTALDH1A1RAB9AKDM4EHPGD
SCHEMBL22944781 0.86 S1PR4 (0.31)
SCHEMBL22945529 0.86 PDE6D (0.32) MAPTMEN1KMT2AMAPK1TDP1

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 MAPT 2771/4885ALDH1A1 271/4885RAB9A 1587/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 MAPT 2771/4885ALDH1A1 271/4885RAB9A 1587/4885

“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.