SCHEMBL22563679

SCHEMBL22563679

Cc1cc(C)nc(-c2cc(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c(C#N)c(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
PPARG P37231 1/20 0.32
STAT3 P40763 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
ABCG2 Q9UNQ0 3/20 0.31
HSD17B10 Q99714 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
SCHEMBL19943077 0.95 NPSR1 (0.32) ALDH1A1HPGDNPSR1
SCHEMBL22563683 0.94 ALDH1A1 (0.33) KDM4EALDH1A1HPGDNPSR1ABCG2
SCHEMBL19909210 0.93 METAP2 (0.33) KDM4EALDH1A1HPGDPPARGSTAT3
SCHEMBL21278712 0.90 ALDH1A1 (0.30) KDM4EALDH1A1HPGDPPARGSTAT3
SCHEMBL19943081 0.89 PDE9A (0.34) KDM4EALDH1A1HPGDSTAT3NPSR1
SCHEMBL22563389 0.88 ABCG2 (0.41) KDM4EALDH1A1HPGDNPSR1ABCG2
SCHEMBL19942791 0.88 L3MBTL1 (0.44) KDM4EALDH1A1HPGDPPARGNPSR1
SCHEMBL23487305 0.88 NPSR1 (0.37) KDM4EALDH1A1HPGDPPARGSTAT3
SCHEMBL19942712 0.88 NPSR1 (0.37) KDM4EALDH1A1HPGDPPARGNPSR1
SCHEMBL19909215 0.88 ALDH1A1 (0.33) KDM4EALDH1A1HPGDNPSR1HSD17B10

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 KDM4E 4619/4885ALDH1A1 80/4885HPGD 1547/4885

“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.