SCHEMBL21756095

SCHEMBL21756095

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c45)n3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
F9 P00740 1/20 0.33
ALOX5 P09917 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ATM Q13315 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL24216399 0.99 LIMK1 (0.37) LIMK1ADORA2AADORA1ALDH1A1MAPT
SCHEMBL21755954 0.98 LIMK1 (0.35) LIMK1ADORA2AADORA1ALDH1A1MAPT
SCHEMBL21756109 0.96 ALOX5 (0.38) LIMK1ADORA2AADORA1ALDH1A1MAPT
SCHEMBL23790723 0.95 LIMK1 (0.35) LIMK1ADORA2AADORA1ALDH1A1MAPT
SCHEMBL21148487 0.95 LIMK1 (0.36) LIMK1ADORA2AADORA1ALDH1A1MAPT
SCHEMBL24169849 0.95 LIMK1 (0.38) LIMK1ADORA2AADORA1ALDH1A1MAPT
SCHEMBL24169537 0.95 LIMK1 (0.38) LIMK1ADORA2AADORA1ALDH1A1MAPT
SCHEMBL21755984 0.94 ALOX5 (0.36) LIMK1ADORA2AADORA1ALDH1A1MAPT
SCHEMBL21149104 0.94 LIMK1 (0.36) LIMK1ADORA2AADORA1ALDH1A1MAPT
SCHEMBL22760349 0.94 ALOX5 (0.39) LIMK1ADORA2AADORA1ALDH1A1MAPT

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
WO-2024101687-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING ELEMENT 엘티소재주식회사 2024-05-16 WO disclosed
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 LIMK1 129/4885ADORA2A 3283/4885ADORA1 1725/4885

“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.