SCHEMBL19909504

SCHEMBL19909504

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2C#N)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
MAP4K4 O95819 1/20 0.40
CLK4 Q9HAZ1 4/20 0.40
GRM5 P41594 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CDC7 O00311 1/20 0.38
USP2 O75604 2/20 0.37
NEK1 Q96PY6 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

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
SCHEMBL19909505 0.96 AURKA (0.40) AURKAGSK3AGSK3BMAP4K4CLK4
SCHEMBL19909485 0.91 FLT3 (0.34) AURKAGSK3AGSK3BMAP4K4GRM5
SCHEMBL21547025 0.91 MAP4K4 (0.43) MAP4K4CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL19909503 0.91 AURKA (0.43) AURKAGSK3AGSK3BMAP4K4CLK4
SCHEMBL21546441 0.90 ADORA1 (0.42) MAP4K4CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL21546765 0.90 MAP4K4 (0.40) MAP4K4CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL19909016 0.90 ADORA1 (0.42) GSK3AGSK3BCLK4ROCK1MEN1
SCHEMBL19908905 0.90 FLT3 (0.37) GSK3AGSK3BMAP4K4
SCHEMBL21414298 0.89 MAP4K4 (0.41) MAP4K4CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL21546496 0.89 MAP4K4 (0.41) MAP4K4CLK4CYP1A2CYP3A4ALDH1A1

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.