SCHEMBL22945113

SCHEMBL22945113

c1ccc2c3c(ccc2c1)N(c1nc(-c2ccncc2)c2ccccc2n1)c1cccc2cccc-3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 6/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HPGD P15428 5/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.34
PDE6D O43924 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK13 O15264 1/20 0.34

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
SCHEMBL21515277 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL22945366 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL22945005 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL22945000 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL26736984 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL21515292 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL22945727 0.84 TGFBR1 (0.38) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL22944786 0.84 MAPT (0.35) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL22945335 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL21515299 0.83 PDE10A (0.36) ALDH1A1KDM4EL3MBTL1HPGDLMNA

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 ALDH1A1 271/4885KDM4E 1857/4885L3MBTL1 339/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALDH1A1 271/4885KDM4E 1857/4885L3MBTL1 339/4885

“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.