SCHEMBL22563380

SCHEMBL22563380

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.44
MYC P01106 1/20 0.42
ALDH1A3 P47895 2/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
ABCB1 P08183 3/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA1 P30542 5/20 0.38
ADORA2A P29274 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 1/20 0.38
SQOR Q9Y6N5 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PIM1 P11309 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
SCHEMBL22563384 0.97 ABCG2 (0.41) ABCG2MYCALDH1A3GABRA1GABRG2
SCHEMBL21279090 0.97 ABCG2 (0.46) ABCG2MYCALDH1A3GABRA1GABRG2
SCHEMBL22563575 0.95 ADORA1 (0.41) ABCG2KDM4ELMNASMN1; SMN2ADORA1
SCHEMBL21279093 0.94 ABCG2 (0.43) ABCG2MYCALDH1A3GABRA1GABRG2
SCHEMBL19942699 0.93 ABCG2 (0.42) ABCG2MYCALDH1A3GABRA1GABRG2
SCHEMBL22563553 0.92 ALDH1A3 (0.46) ABCG2ALDH1A3GABRA1GABRG2GABRB3
SCHEMBL22563682 0.92 ALDH1A3 (0.39) ABCG2MYCALDH1A3GABRA1GABRG2
SCHEMBL22563547 0.92 SQOR (0.40) KDM4ELMNASMN1; SMN2ADORA1ADORA2A
SCHEMBL19909207 0.92 MYC (0.51) ABCG2MYCALDH1A3GABRA1GABRG2
SCHEMBL22563446 0.92 ABCG2 (0.43) ABCG2MYCALDH1A3GABRA1GABRG2

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 ABCG2 2612/4885MYC 329/4885ALDH1A3 91/4885

“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.