SCHEMBL22563470

SCHEMBL22563470

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cc2C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.35
ABCB1 P08183 1/20 0.35
MYC P01106 1/20 0.35
SQOR Q9Y6N5 3/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CSNK2A1 P68400 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GRM5 P41594 1/20 0.34
CLK4 Q9HAZ1 3/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34

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
SCHEMBL22563457 0.98 ALDH1A3 (0.36) ALDH1A3ABCG2ABCB1MYCSQOR
SCHEMBL21278886 0.94 MEN1 (0.38) ALDH1A3ABCG2ABCB1MYCSQOR
SCHEMBL19942775 0.94 CYP1A2 (0.38) ALDH1A3ABCG2ABCB1MEN1ALDH1A1
SCHEMBL23487309 0.93 ALDH1A3 (0.38) ALDH1A3ABCG2ABCB1MYCMEN1
SCHEMBL23487698 0.93 ABCG2 (0.41) ALDH1A3ABCG2ABCB1MYCSQOR
SCHEMBL22563708 0.92 SQOR (0.38) SQORMEN1ALDH1A1KMT2AMAPT
SCHEMBL21278880 0.92 ABCG2 (0.36) ALDH1A3ABCG2ABCB1MYCSQOR
SCHEMBL22563501 0.92 ALDH1A3 (0.36) ALDH1A3ABCG2ABCB1MYCSQOR
SCHEMBL19942781 0.92 CYP1A2 (0.37) ALDH1A3ABCG2ABCB1MEN1ALDH1A1
SCHEMBL19908972 0.92 MYC (0.40) ALDH1A3ABCG2ABCB1MYCSQOR

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 ALDH1A3 91/4885ABCG2 2612/4885ABCB1 1179/4885

“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.