SCHEMBL21364586

SCHEMBL21364586

N#Cc1ccc(-c2ccc(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c(-c3cc(-n4c5ccc(-c6ccc(C#N)cc6C#N)cc5c5cc(-c6ccc(C#N)cc6C#N)ccc54)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.33
ABCB1 P08183 3/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
STS P08842 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCC1 P33527 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
SCHEMBL21364936 0.96 CYP1A2 (0.36) ABCG2NR3C1ALDH1A1LMNAHPGD
SCHEMBL22243128 0.95 NR3C1 (0.34) ABCG2ABCB1NR3C1STSALDH1A1
SCHEMBL21364531 0.95 NR3C1 (0.38) ABCG2ABCB1NR3C1STSALDH1A1
SCHEMBL21364360 0.94 ABCG2 (0.37) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL22243127 0.93 PTGER4 (0.33) ABCG2ABCB1NR3C1STSALDH1A1
SCHEMBL21364860 0.93 ABCG2 (0.37) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL22243126 0.93 ABCG2 (0.37) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL21364975 0.92 ABCG2 (0.36) ABCG2ABCB1STSALDH1A1LMNA
SCHEMBL22243164 0.92 ABCG2 (0.35) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL21364371 0.91 ABCG2 (0.35) ABCG2ABCB1PGRPIK3CDPIK3CA

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 3 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
EP-3540808-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-09-18 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 (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 1278/4885NR3C1 4626/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 ABCG2 3275/4885ABCB1 1278/4885NR3C1 4626/4885

“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.