SCHEMBL21546744

SCHEMBL21546744

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2-c2cccc(C#N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.40
ALDH1A3 P47895 1/20 0.39
PGR P06401 1/20 0.39
CLK4 Q9HAZ1 6/20 0.38
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 5/20 0.38
ALDH1A1 P00352 4/20 0.38
PTPN5 P54829 1/20 0.38
ADORA2A P29274 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
CHEK1 O14757 1/20 0.37
USP2 O75604 2/20 0.37
HIF1A Q16665 2/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL21546785 0.97 MAP4K4 (0.39) MAP4K4ALDH1A3PGRCLK4CYP1A2
SCHEMBL21414267 0.97 MAP4K4 (0.39) MAP4K4ALDH1A3PGRCLK4CYP1A2
SCHEMBL21546583 0.97 ALDH1A3 (0.40) MAP4K4ALDH1A3PGRCLK4CYP1A2
SCHEMBL21546475 0.96 PTGER4 (0.39) MAP4K4ALDH1A3PGRCLK4CYP1A2
SCHEMBL21546476 0.95 MAP4K4 (0.44) MAP4K4ALDH1A3PGRCLK4CYP1A2
SCHEMBL21546578 0.94 ALDH1A3 (0.38) MAP4K4ALDH1A3PGRCLK4CYP1A2
SCHEMBL21546656 0.93 ADORA2A (0.39) CLK4CYP1A2CYP3A4ALDH1A1ADORA2A
SCHEMBL21546582 0.93 ALDH1A3 (0.42) MAP4K4ALDH1A3PGRCLK4CYP1A2
SCHEMBL21546728 0.93 ALDH1A1 (0.39) MAP4K4ALDH1A3PGRCLK4CYP1A2
SCHEMBL22760724 0.92 MAP4K4 (0.42) MAP4K4ALDH1A3PGRCLK4CYP1A2

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

“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.