SCHEMBL22563561

SCHEMBL22563561

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.37
ABCB1 P08183 1/20 0.37
PTGER4 P35408 1/20 0.37
MYC P01106 1/20 0.35
ALDH1A3 P47895 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
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STS P08842 1/20 0.34
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL22563520 0.97 ABCG2 (0.38) ABCG2ABCB1PTGER4MYCALDH1A3
SCHEMBL21278792 0.94 ABCG2 (0.37) ABCG2ABCB1PTGER4MYCALDH1A3
SCHEMBL19943044 0.93 PTGER4 (0.37) ABCG2ABCB1PTGER4LMNASTS
SCHEMBL19909131 0.92 MYC (0.37) ABCG2ABCB1PTGER4MYCALDH1A3
SCHEMBL22268541 0.92 PTGER4 (0.36) ABCG2ABCB1PTGER4MYCALDH1A3
SCHEMBL23487694 0.92 GABRG2 (0.39) ABCG2ABCB1PTGER4MYCALDH1A3
SCHEMBL21278795 0.91 ABCG2 (0.39) ABCG2ABCB1MYCALDH1A3GABRA1
SCHEMBL23487301 0.90 PTGER4 (0.36) ABCG2ABCB1PTGER4MYCALDH1A3
SCHEMBL19943048 0.90 ABCG2 (0.38) ABCG2ABCB1PTGER4LMNASTS
SCHEMBL22562282 0.90 PTGER4 (0.35) ABCG2ABCB1PTGER4MYCALDH1A3

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 2612/4885ABCB1 1179/4885PTGER4 1486/4885

“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.