SCHEMBL22563672

SCHEMBL22563672

Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
PTGER4 P35408 3/20 0.40
ALDH1A3 P47895 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.36
ABCB1 P08183 1/20 0.36
NPY5R Q15761 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
ELANE P08246 1/20 0.35
CTRB1 P17538 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23487585 0.97 ADORA2A (0.43) ADORA2AADORA1PTGER4ALDH1A3ABCG2
SCHEMBL21278737 0.94 ADORA2A (0.40) ADORA2AADORA1PTGER4ALDH1A3ABCG2
SCHEMBL23487621 0.94 PTGER4 (0.38) ADORA2AADORA1PTGER4ALDH1A3ABCG2
SCHEMBL21108019 0.93 PTGER4 (0.40) ADORA2AADORA1PTGER4ABCG2ABCB1
SCHEMBL19909176 0.92 ADORA2A (0.41) ADORA2AADORA1PTGER4ALDH1A3ABCG2
SCHEMBL22563428 0.92 ABCG2 (0.38) ADORA2AADORA1PTGER4ALDH1A3ABCG2
SCHEMBL22563572 0.92 ABCG2 (0.40) ADORA2APTGER4ALDH1A3ABCG2ABCB1
SCHEMBL22563406 0.91 ALDH1A3 (0.45) ADORA2APTGER4ALDH1A3ABCG2ABCB1
SCHEMBL22563480 0.91 ALDH1A3 (0.38) ADORA2AADORA1PTGER4ALDH1A3ABCG2
SCHEMBL22563555 0.91 ABCG2 (0.41) ADORA2APTGER4ALDH1A3ABCG2ABCB1

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 ADORA2A 4354/4885ADORA1 4564/4885PTGER4 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.