SCHEMBL21364360

SCHEMBL21364360

N#Cc1ccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.37
ABCB1 P08183 7/20 0.37
PGR P06401 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
ABCC1 P33527 3/20 0.34
ALDH1A3 P47895 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
AKT1 P31749 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
SCHEMBL21364371 0.97 ABCG2 (0.35) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL21366884 0.97 ABCG2 (0.35) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL22243126 0.97 ABCG2 (0.37) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL21364860 0.97 ABCG2 (0.37) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL21364581 0.96 ABCG2 (0.35) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL22243164 0.96 ABCG2 (0.35) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL21364368 0.95 ABCG2 (0.35) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL21364852 0.94 ABCG2 (0.35) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL22242984 0.94 PTGER4 (0.36) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL21365049 0.94 CYP1A2 (0.39) ABCG2ALDH1A3GABRA1GABRG2GABRB3

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-11161836-B2 Organic molecules for optoelectronic devices CYNORA GMBH (DE) 2021-11-02 US disclosed
US-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 US 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 (2 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-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 ABCG2 3275/4885ABCB1 1278/4885PGR 3456/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 ABCG2 3275/4885ABCB1 1278/4885PGR 3456/4885

“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.