SCHEMBL21132052

SCHEMBL21132052

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(C#N)c(-c5cc(-n6c7ccccc7c7ccc(-c8ccc(C#N)cc8C#N)cc76)ccc5C#N)c4)c3c2)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.39
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR3C1 P04150 1/20 0.35
TRPA1 O75762 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 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
SCHEMBL21131402 0.94 STS (0.40) STSLMNAHPGDALDH1A1MAPK1
SCHEMBL21131403 0.93 STS (0.39) STSLMNAHPGDALDH1A1MAPK1
SCHEMBL20924071 0.91 FLT3 (0.39) STSLMNAHPGDALDH1A1MAPK1
SCHEMBL21131605 0.89 ALDH1A1 (0.39) LMNAHPGDALDH1A1MAPK1SMN1; SMN2
SCHEMBL21131774 0.89 NR3C1 (0.43) LMNAHPGDALDH1A1MAPK1SMN1; SMN2
SCHEMBL21132056 0.89 KDM4E (0.39) LMNAHPGDALDH1A1MAPK1SMN1; SMN2
SCHEMBL20156208 0.88 ALDH1A1 (0.35) STSLMNAHPGDALDH1A1MAPK1
SCHEMBL21116468 0.87 STS (0.40) STSTRPA1PRMT5WDR77CYP11B1
SCHEMBL21131404 0.87 STS (0.40) STSLMNAHPGDALDH1A1MAPK1
SCHEMBL21131577 0.86 PGR (0.39) LMNAHPGDALDH1A1MAPK1SMN1; SMN2

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-11380849-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2022-07-05 US disclosed
EP-3478657-B1 DICARBAZOLBIPHENYLDERIVATIVES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-04-21 EP disclosed
US-20190198778-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 US 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-11380849-B2 Organic molecules for use in optoelectronic devices OR10J3, NOX3, ORC3 STS 2004/4885LMNA 3331/4885HPGD 2992/4885
US-20190198778-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, NOX3 STS 2085/4885LMNA 3142/4885HPGD 3234/4885

“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.