SCHEMBL21546911

SCHEMBL21546911

Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4cccc(C#N)c4)c(-n4c5ccccc5c5ccc(-c6ccccc6C)cc54)c3C#N)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.34
BRD4 O60885 1/20 0.34
AR P10275 2/20 0.33
PDK2 Q15119 1/20 0.33
PRF1 P14222 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32
CHEK1 O14757 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
PGR P06401 2/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ELANE P08246 1/20 0.31
PIP4K2A P48426 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL21546901 0.94 ADRA2C (0.34) ADRA2CBRD4ARPDK2PRF1
SCHEMBL22761144 0.92 ELANE (0.34) ADRA2CBRD4ARPRF1ADORA2A
SCHEMBL21546897 0.90 ELANE (0.36) ADRA2CBRD4ARPDK2PRF1
SCHEMBL21546900 0.90 PGR (0.32) ADRA2CBRD4ARPDK2CHEK1
SCHEMBL21546966 0.90 CHEK1 (0.36) ADRA2CPDK2PRF1ADORA2AADORA1
SCHEMBL22761170 0.89 SMN1; SMN2 (0.37) ADRA2CPDK2PRF1ADORA2AADORA1
SCHEMBL21546493 0.89 ELANE (0.36) ADRA2CBRD4PRF1ADORA2AADORA1
SCHEMBL22760886 0.89 CHEK1 (0.35) ADRA2CBRD4PDK2PRF1ADORA2A
SCHEMBL22760915 0.89 CHEK1 (0.35) ADRA2CBRD4PDK2PRF1ADORA2A
SCHEMBL21546509 0.89 ADRA2C (0.36) ADRA2CBRD4PDK2PRF1ADORA2A

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 3840/4885BRD4 2909/4885AR 4523/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ADRA2C 3840/4885BRD4 2909/4885AR 4523/4885

“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.