SCHEMBL22243165

SCHEMBL22243165

N#Cc1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4C#N)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(C#N)ccc3-n3c4ccc(-c5c(C#N)cc(C#N)cc5C#N)cc4c4cc(-c5c(C#N)cc(C#N)cc5C#N)ccc43)c2)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCG2 Q9UNQ0 8/20 0.32
ABCB1 P08183 4/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL22243166 0.97 PTGER4 (0.33) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22243128 0.94 NR3C1 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22243223 0.92 CYP1A2 (0.35) ALDH1A1LMNAMAPK1ABCG2ABCB1
SCHEMBL22243164 0.91 ABCG2 (0.35) ALDH1A1LMNAMAPK1ABCG2ABCB1
SCHEMBL22243127 0.91 PTGER4 (0.33) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22242983 0.91 NR3C1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22243119 0.91 CYP1A2 (0.35) ALDH1A1LMNAMAPK1ABCG2ABCB1
SCHEMBL22243126 0.91 ABCG2 (0.37) ALDH1A1LMNAABCG2ABCB1GABRA1
SCHEMBL22243045 0.90 ABCG2 (0.37) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22243044 0.90 CYP1A2 (0.39) ALDH1A1LMNAHPGDMAPK1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11600783-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-03-07 US disclosed
US-20200235308-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-23 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 (2 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-20200235308-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 ALDH1A1 869/4885LMNA 4272/4885HPGD 2885/4885
US-11600783-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, ALDH1A2 ALDH1A1 48/4885LMNA 4103/4885HPGD 1482/4885

“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.