SCHEMBL19919477

SCHEMBL19919477

Cc1cc(-c2cc(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)c(C#N)c(-n3c4cc(-c5cccc(C#N)c5)ccc4c4ccc(-c5cccc(C#N)c5)cc43)c2)cc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2B P29275 2/20 0.39
ALDH1A3 P47895 1/20 0.38
CLK4 Q9HAZ1 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
F11 P03951 1/20 0.37
PIN1 Q13526 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
WNT3A P56704 1/20 0.36
GRM5 P41594 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL19919668 0.96 ADORA2A (0.38) ADORA2AADORA1ADORA2BALDH1A3CLK4
SCHEMBL19909209 0.92 METAP2 (0.36) IRAK4
SCHEMBL23487784 0.91 ABCG2 (0.45) ADORA2AADORA1ADORA2BALDH1A3CLK4
SCHEMBL21547016 0.90 MAP4K4 (0.40) ADORA2AADORA1ADORA2BALDH1A3CLK4
SCHEMBL19909437 0.89 KDM5B (0.42) ADORA2AADORA1ADORA2BALDH1A1MEN1
SCHEMBL19909199 0.89 CHEK1 (0.41) ALDH1A1IRAK4KMT2A
SCHEMBL19908985 0.89 ALDH1A1 (0.42) ADORA2AADORA1ADORA2BALDH1A1CYP1A2
SCHEMBL19909204 0.89 METAP2 (0.33) ALDH1A1IRAK4MEN1KMT2A
SCHEMBL22760924 0.88 SYK (0.37) ADORA2AADORA1ADORA2BALDH1A3CLK4
SCHEMBL21546819 0.88 GRIA2 (0.39) ADORA2AADORA1ADORA2BALDH1A3CLK4

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 4 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

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 ADORA2A 3726/4885ADORA1 4379/4885ADORA2B 3574/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 ADORA2A 4758/4885ADORA1 4641/4885ADORA2B 4420/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 ADORA2A 3726/4885ADORA1 4379/4885ADORA2B 3574/4885

“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.