SCHEMBL19909503

SCHEMBL19909503

N#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(-c5ccncc5)cc(-n5c6cc(-c7cccc(C#N)c7)ccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CLK4 Q9HAZ1 1/20 0.40
GRM5 P41594 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC7 O00311 1/20 0.38
MAP4K4 O95819 1/20 0.38
FLT3 P36888 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
ITK Q08881 1/20 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
SCHEMBL19919544 0.96 AURKA (0.40) AURKAGSK3AGSK3BCLK4GRM5
SCHEMBL19908963 0.91 FLT3 (0.37) AURKAGSK3AGSK3BROCK2ROCK1
SCHEMBL21547016 0.91 MAP4K4 (0.40) CLK4MAP4K4CYP1A2CYP3A4ADORA2A
SCHEMBL19909504 0.91 AURKA (0.43) AURKAGSK3AGSK3BCLK4GRM5
SCHEMBL19909112 0.90 ADORA1 (0.42) GSK3AGSK3BCLK4ROCK1ADORA2A
SCHEMBL21546742 0.90 ADORA1 (0.42) CLK4GRM5MAP4K4USP2CYP1A2
SCHEMBL21546767 0.90 GRIA2 (0.38) CLK4MAP4K4CYP1A2CYP3A4ADORA2A
SCHEMBL19908908 0.90 FLT3 (0.40) GSK3AGSK3BMAP4K4FLT3
SCHEMBL21546684 0.89 MAP4K4 (0.39) CLK4MAP4K4CYP1A2CYP3A4ADORA2A
SCHEMBL21414288 0.89 MAP4K4 (0.39) CLK4MAP4K4CYP1A2CYP3A4ADORA2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 AURKA 2834/4885GSK3A 3265/4885GSK3B 3022/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 AURKA 2916/4885GSK3A 2523/4885GSK3B 2470/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 AURKA 2834/4885GSK3A 3265/4885GSK3B 3022/4885

“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.