SCHEMBL19909505

SCHEMBL19909505

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
USP2 O75604 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
MAP4K4 O95819 1/20 0.37
TDO2 P48775 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CLK4 Q9HAZ1 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
GRM5 P41594 3/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
ALDH1A3 P47895 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL19909504 0.96 AURKA (0.43) AURKAGSK3AGSK3BCYP1A2CYP3A4
SCHEMBL19919544 0.94 AURKA (0.40) AURKAGSK3AGSK3BCYP1A2CYP3A4
SCHEMBL19908962 0.93 MAPK14 (0.34) AURKAGSK3AGSK3BABCG2CLK4
SCHEMBL19919542 0.92 PTGER4 (0.38) GSK3AGSK3BMAP4K4TDO2CLK4
SCHEMBL19908876 0.92 SQOR (0.40) GSK3AGSK3BCLK4ADORA2AADORA1
SCHEMBL21546928 0.92 ADORA2A (0.40) CYP1A2CYP3A4USP2CYP2C9MAP4K4
SCHEMBL22760703 0.92 MAP4K4 (0.40) CYP1A2CYP3A4USP2CYP2C9MAP4K4
SCHEMBL21546768 0.91 PTGER4 (0.38) CYP1A2CYP3A4USP2CYP2C9MAP4K4
SCHEMBL22760894 0.90 MAP4K4 (0.38) CYP1A2CYP3A4USP2CYP2C9MAP4K4
SCHEMBL19909120 0.90 CYP11B2 (0.36) CYP1A2CYP3A4USP2CYP2C9HPGD

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.