SCHEMBL21546594

SCHEMBL21546594

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.37
ADORA2A P29274 1/20 0.35
ADRA2C P18825 1/20 0.34
CHEK1 O14757 1/20 0.34
PRF1 P14222 1/20 0.34
ALDH1A3 P47895 1/20 0.34
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
CYP2D6 P10635 3/20 0.33
TSHR P16473 3/20 0.33
CYP2C19 P33261 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.33
PGR P06401 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
SCHEMBL21546590 0.97 STS (0.37) STSADORA2AADRA2CCHEK1PRF1
SCHEMBL22761137 0.94 STS (0.38) STSADORA2AADRA2CCHEK1PRF1
SCHEMBL21546597 0.94 STS (0.37) STSADORA2AADRA2CCHEK1PRF1
SCHEMBL21414154 0.94 STS (0.37) STSMEN1KMT2A
SCHEMBL22760662 0.93 ALDH1A3 (0.39) ADORA2AADRA2CCHEK1ALDH1A3CYP1A2
SCHEMBL22760626 0.92 TRPA1 (0.39) ADORA2AADRA2CALDH1A3CYP1A2CYP3A4
SCHEMBL21546588 0.92 ALDH1A3 (0.37) ADORA2AADRA2CCHEK1ALDH1A3CYP1A2
SCHEMBL21546906 0.92 ADORA2A (0.38) ADORA2AADRA2CALDH1A3CYP1A2CYP3A4
SCHEMBL22760909 0.91 ALDH1A3 (0.40) ADORA2AADRA2CCHEK1ALDH1A3CYP1A2
SCHEMBL21546811 0.90 STS (0.38) STSADRA2CCHEK1PRF1ALDH1A3

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 STS 2957/4885ADORA2A 3953/4885ADRA2C 3840/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM STS 2957/4885ADORA2A 3953/4885ADRA2C 3840/4885

“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.