SCHEMBL21889533

SCHEMBL21889533

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NLRP3 Q96P20 1/20 0.38
NR1I3 Q14994 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPY5R Q15761 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
MAPT P10636 4/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ABCB1 P08183 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.34
TP53 P04637 1/20 0.34
RAC2 P15153 1/20 0.34
RAC3 P60763 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
PTGER4 P35408 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
SCHEMBL30338772 1.00 MEN1 (0.38) MEN1KMT2ANLRP3NR1I3L3MBTL1
SCHEMBL21888620 0.96 NLRP3 (0.40) MEN1KMT2ANLRP3NR1I3L3MBTL1
SCHEMBL22148652 0.94 MEN1 (0.37) MEN1KMT2ANLRP3NR1I3L3MBTL1
SCHEMBL21889126 0.92 NLRP3 (0.41) MEN1KMT2ANLRP3NR1I3L3MBTL1
SCHEMBL21889127 0.92 NLRP3 (0.41) MEN1KMT2ANLRP3NR1I3L3MBTL1
SCHEMBL22148643 0.90 L3MBTL1 (0.38) MEN1KMT2ANLRP3NR1I3L3MBTL1
SCHEMBL30561142 0.90 NLRP3 (0.38) MEN1KMT2ANLRP3NR1I3L3MBTL1
SCHEMBL21888575 0.90 MEN1 (0.38) MEN1KMT2ANR1I3L3MBTL1ADORA3
SCHEMBL30338806 0.90 MEN1 (0.38) MEN1KMT2ANR1I3L3MBTL1ADORA3
SCHEMBL30709396 0.89 NR1I3 (0.40) MEN1KMT2ANLRP3NR1I3L3MBTL1

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
EP-3642303-B1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2021-04-14 EP disclosed
US-20200115376-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 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 (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-20200115376-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, NDUFV3, SLCO1B3 MEN1 3155/4885KMT2A 4167/4885NLRP3 3165/4885

“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.