SCHEMBL22760965

SCHEMBL22760965

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.41
MAP4K4 O95819 1/20 0.40
ALDH1A3 P47895 1/20 0.39
CLK4 Q9HAZ1 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NTRK1 P04629 2/20 0.37
PIK3CA P42336 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
ADRA2C P18825 1/20 0.37
CHEK1 O14757 1/20 0.37
BRD4 O60885 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
KIT P10721 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL21546810 0.96 PGR (0.39) PGRMAP4K4ALDH1A3CLK4CYP1A2
SCHEMBL21546690 0.96 ALDH1A3 (0.42) PGRMAP4K4ALDH1A3CLK4CYP1A2
SCHEMBL22760955 0.96 PGR (0.39) PGRMAP4K4ALDH1A3CLK4CYP1A2
SCHEMBL22760963 0.95 ALDH1A3 (0.39) PGRMAP4K4ALDH1A3CLK4CYP1A2
SCHEMBL21546807 0.94 STS (0.38) PGRMAP4K4ALDH1A3CLK4CYP1A2
SCHEMBL21547062 0.93 ADRA2C (0.38) PGRALDH1A3CLK4CYP1A2CYP3A4
SCHEMBL22760718 0.93 ALDH1A3 (0.40) PGRMAP4K4ALDH1A3CLK4CYP1A2
SCHEMBL22760791 0.93 PGR (0.37) PGRMAP4K4ALDH1A3CLK4CYP1A2
SCHEMBL21546673 0.93 AR (0.41) PGRMAP4K4ALDH1A3CLK4CYP1A2
SCHEMBL22760960 0.93 NR3C1 (0.40) ALDH1A3CLK4CYP1A2CYP3A4ALDH1A1

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 2 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

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 PGR 3398/4885MAP4K4 2642/4885ALDH1A3 39/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PGR 3398/4885MAP4K4 2642/4885ALDH1A3 39/4885

“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.