SCHEMBL21546665

SCHEMBL21546665

N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)cc(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
ADRA2C P18825 1/20 0.34
CHEK1 O14757 1/20 0.34
PRF1 P14222 1/20 0.34
ESRRB O95718 1/20 0.33
ESRRA P11474 1/20 0.33
PDK2 Q15119 1/20 0.33
ADORA2A P29274 1/20 0.32
BRD4 O60885 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PGR P06401 1/20 0.31
ALDH1A3 P47895 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

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
SCHEMBL21546787 0.96 STS (0.37) STSADRA2CCHEK1PRF1ESRRB
SCHEMBL21546671 0.95 STS (0.37) STSADRA2CCHEK1PRF1ESRRB
SCHEMBL21414258 0.94 STS (0.38) STS
SCHEMBL21546720 0.93 ADRA2C (0.37) ADRA2CPDK2ADORA2AGRIN1GRIN2B
SCHEMBL21928425 0.91 PRMT5 (0.36) STSADRA2CCHEK1PRF1ESRRB
SCHEMBL21547105 0.90 PDK2 (0.36) STSCHEK1PRF1ESRRBESRRA
SCHEMBL21546784 0.90 STS (0.38) STSADRA2CCHEK1PRF1ESRRB
SCHEMBL22761137 0.89 STS (0.38) STSADRA2CCHEK1PRF1PDK2
SCHEMBL21414263 0.89 STS (0.38) STSMEN1CYP1A2CYP3A4KMT2A
SCHEMBL21546578 0.89 ALDH1A3 (0.38) CHEK1PDK2ADORA2APGRALDH1A3

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 2957/4885ADRA2C 3840/4885CHEK1 1834/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM STS 2957/4885ADRA2C 3840/4885CHEK1 1834/4885

“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.