SCHEMBL21546970

SCHEMBL21546970

N#Cc1cccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(C#N)c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.34
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
PRF1 P14222 1/20 0.32
BRD4 O60885 1/20 0.32
ADORA2B P29275 2/20 0.32
CHEK1 O14757 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CLK4 Q9HAZ1 3/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL22760985 0.94 ADRA2C (0.34) ADRA2CADORA2AADORA1PRF1BRD4
SCHEMBL21546511 0.92 ADRA2C (0.36) ADRA2CADORA2AADORA1PRF1BRD4
SCHEMBL22760693 0.91 CHEK1 (0.37) ADRA2CADORA2AADORA1PRF1BRD4
SCHEMBL22760968 0.91
SCHEMBL21546968 0.89 CHEK1 (0.36) ADRA2CADORA2AADORA1PRF1ADORA2B
SCHEMBL22760887 0.88 CHEK1 (0.35) ADRA2CADORA2AADORA1PRF1CHEK1
SCHEMBL22760910 0.88 CHEK1 (0.35) ADRA2CADORA2AADORA1PRF1BRD4
SCHEMBL21546488 0.88 ELANE (0.36) ADRA2CADORA2AADORA1PRF1BRD4
SCHEMBL21546509 0.88 ADRA2C (0.36) ADRA2CADORA2AADORA1PRF1BRD4
SCHEMBL21546904 0.88 ADRA2C (0.36) ADRA2CADORA2AADORA1PRF1BRD4

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 ADRA2C 3840/4885ADORA2A 3953/4885ADORA1 4552/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ADRA2C 3840/4885ADORA2A 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.