SCHEMBL21756076

SCHEMBL21756076

c1ccc(-c2nc(-c3ccc4c(c3)sc3ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
F9 P00740 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 1/20 0.33
GPR3 P46089 1/20 0.32
LIMK1 P53667 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ALOX15 P16050 1/20 0.31
ADORA2B P29275 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
SCHEMBL26573575 0.98 PIM3 (0.37) PIM3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL24169848 0.98 PIM3 (0.37) PIM3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL19802655 0.97 PIM3 (0.36) PIM3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL22700237 0.96 ALDH1A1 (0.36) PIM3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL22700236 0.96 ALDH1A1 (0.36) PIM3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL22329555 0.96 ALDH1A1 (0.36) PIM3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL19803055 0.95 PIM3 (0.37) PIM3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL21755984 0.94 ALOX5 (0.36) PIM3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL24216004 0.94 ADORA2A (0.35) PIM3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL23790723 0.93 LIMK1 (0.35) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210280800-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-09-09 US disclosed
WO-2020040571-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-27 WO 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 (1 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-20210280800-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, AOX1, CYBA PIM3 2173/4885ALDH1A1 10/4885MAPT 1393/4885

“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.