SCHEMBL21546493

SCHEMBL21546493

Cc1ccc2c3ccccc3n(-c3ccc(-c4cccc(C#N)c4)c(-n4c5ccccc5c5ccc(C)cc54)c3C#N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
ADORA2A P29274 5/20 0.33
ADORA1 P30542 4/20 0.33
ADORA2B P29275 2/20 0.33
BRD4 O60885 1/20 0.33
ADRA2C P18825 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
CYP1A2 P05177 5/20 0.32
CYP3A4 P08684 5/20 0.32
CYP2C19 P33261 4/20 0.32
CYP2D6 P10635 4/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL22760710 0.96 ELANE (0.36) ELANEADORA2AADORA1ADORA2BBRD4
SCHEMBL21546488 0.94 ELANE (0.36) ELANEADORA2AADORA1ADORA2BBRD4
SCHEMBL22761144 0.93 ELANE (0.34) ELANEADORA2AADORA1ADORA2BBRD4
SCHEMBL21546897 0.93 ELANE (0.36) ELANEADORA2AADORA1ADORA2BBRD4
SCHEMBL21546509 0.91 ADRA2C (0.36) ADORA2AADORA1ADORA2BBRD4ADRA2C
SCHEMBL21546494 0.89 ELANE (0.36) ELANEADORA2AADORA1ADORA2BBRD4
SCHEMBL21546966 0.88 CHEK1 (0.36) ADORA2AADORA1ADORA2BADRA2CCYP1A2
SCHEMBL22760985 0.88 ADRA2C (0.34) ADORA2AADORA1ADORA2BBRD4ADRA2C
SCHEMBL22761143 0.88 PGR (0.38) ELANEADORA2AADORA1BRD4CYP1A2
SCHEMBL22760797 0.88 ELANE (0.37) ELANEADORA2AADORA1ADORA2BBRD4

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-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM ELANE 2057/4885ADORA2A 3953/4885ADORA1 4552/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ELANE 2057/4885ADORA2A 3953/4885ADORA1 4552/4885

“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.