SCHEMBL21546590

SCHEMBL21546590

N#Cc1cccc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(C#N)cc2-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.37
PRF1 P14222 1/20 0.36
ADORA2A P29274 1/20 0.34
ADRA2C P18825 1/20 0.34
CHEK1 O14757 1/20 0.34
BRD4 O60885 1/20 0.34
LRRK2 Q5S007 2/20 0.34
ENPP1 P22413 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PGR P06401 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ALDH1A3 P47895 1/20 0.33
ESRRB O95718 1/20 0.33
ESRRA P11474 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL21546594 0.97 STS (0.37) STSPRF1ADORA2AADRA2CCHEK1
SCHEMBL21546811 0.93 STS (0.38) STSPRF1ADRA2CCHEK1BRD4
SCHEMBL21546631 0.93 ALDH1A3 (0.38) PRF1ADORA2AADRA2CCHEK1BRD4
SCHEMBL21546600 0.92 PGR (0.36) PRF1ADORA2AADRA2CCHEK1BRD4
SCHEMBL21414137 0.92 STS (0.38) STS
SCHEMBL21546905 0.92 ADORA2A (0.38) PRF1ADORA2AADRA2CBRD4LRRK2
SCHEMBL22761137 0.91 STS (0.38) STSPRF1ADORA2AADRA2CCHEK1
SCHEMBL21546589 0.91 STS (0.37) STSPRF1ADORA2AADRA2CCHEK1
SCHEMBL22760661 0.91 TRPA1 (0.40) ADORA2AADRA2CENPP1ESR2CLK4
SCHEMBL22760914 0.89 ALDH1A3 (0.41) ADORA2AADRA2CCHEK1PGRCLK4

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 2957/4885PRF1 4364/4885ADORA2A 3953/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM STS 2957/4885PRF1 4364/4885ADORA2A 3953/4885

“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.