SCHEMBL19909476

SCHEMBL19909476

N#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7cccc(C#N)c7)ccc6c6ccc(-c7cccc(C#N)c7)cc65)c4-c4ccncc4)c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CLK4 Q9HAZ1 1/20 0.40
GRM5 P41594 2/20 0.39
CDC7 O00311 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAP4K4 O95819 1/20 0.38
FLT3 P36888 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
ALDH1A3 P47895 1/20 0.37
ROCK2 O75116 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
SCHEMBL19909164 0.95 USP2 (0.40) AURKAGSK3AGSK3BCLK4GRM5
SCHEMBL19913152 0.91 IMPDH2 (0.39) AURKAGSK3AGSK3BCLK4MAPK14
SCHEMBL19909119 0.91 FLT3 (0.37) AURKAGSK3AGSK3BGRM5MAPK14
SCHEMBL19908927 0.90 AURKA (0.41) AURKAGSK3AGSK3BCLK4GRM5
SCHEMBL21546746 0.90 MAP4K4 (0.40) CLK4MAP4K4CYP1A2CYP3A4ALDH1A3
SCHEMBL19913158 0.90 MAPK14 (0.45) GRM5MAPK14MAP4K4FLT3GRIA2
SCHEMBL19919611 0.89 FLT3 (0.42) GSK3AGSK3BMAPK14MAP4K4FLT3
SCHEMBL21414265 0.89 MAP4K4 (0.39) CLK4MAP4K4CYP1A2CYP3A4ALDH1A3
SCHEMBL19909475 0.89 CYP1A2 (0.40) AURKAGSK3AGSK3BCLK4GRM5
SCHEMBL19913150 0.88 MAPK14 (0.39) GSK3AGSK3BCLK4MAPK14FLT3

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-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 (1 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-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 AURKA 2916/4885GSK3A 2523/4885GSK3B 2470/4885

“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.